Molecule FYI-1001687

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A

Molecule Summary:

ID: FYI-1001687
SMILES: C[N+](C)(C)CCCCCCNCC=C

Received at FYIcenter.com on: 2022-11-07

Molecule ID: FYI-1001687 Edit

Molecule Structure SMILES String: C[N+](C)(C)CCCCCCNCC=C

Download SDF Download SVG Structure in 2D SDF:

FYI-1001687
FYIcenter.com

 14 13  0  0  0  0  0  0  0  0999 V2000
   12.8244    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.2124    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   13.3368    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.9124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001687-3D
FYIcenter.com

 41 40  0  0  0  0  0  0  0  0999 V2000
    5.0669    2.6693   -1.2537 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5133    1.3902   -0.6177 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.0479    1.3001    0.8077 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9951    1.4743   -0.6073 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9959    0.2080   -1.4633 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5245   -1.1530   -0.9436 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0518   -2.3041   -1.8014 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5756   -2.3504   -1.8007 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1075   -3.5038   -2.6363 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6323   -3.4724   -2.6204 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1469   -4.5653   -3.4279 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6051   -4.5505   -3.4211 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0989   -5.6722   -4.2683 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8752   -5.5075   -5.3511 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7285    3.5236   -0.6626 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6892    2.7378   -2.2780 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1596    2.6141   -1.2505 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7683    2.2146    1.3394 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1365    1.2005    0.7633 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6009    0.4359    1.3040 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042    2.3890   -0.0837 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5938    0.6053   -0.0809 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6443    1.4959   -1.6435 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0877    0.2792   -1.4642 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6385    0.3710   -2.4874 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4315   -1.2100   -0.9451 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8566   -1.3163    0.0867 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6767   -2.2042   -2.8268 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6565   -3.2482   -1.4064 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9411   -2.4327   -0.7695 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9850   -1.4235   -2.2153 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7378   -3.4107   -3.6652 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7390   -4.4564   -2.2376 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9860   -3.5617   -1.5859 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9833   -2.5095   -3.0136 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8255   -4.4692   -4.3912 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9810   -4.6899   -2.4011 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9794   -3.5873   -3.7893 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8099   -6.6771   -3.9713 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1923   -4.5225   -5.6837 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2093   -6.3629   -5.9273 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8  9  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 11  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 12  1  0  0  0  0
 11 36  1  0  0  0  0
 12 13  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 14  2  0  0  0  0
 13 39  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
M  END
$$$$

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2022-11-21, 1669👍, 0💬