Molecule Editor

Molecule ID: FYI-1015484 Edit

Molecule Structure InChIKey: WNBGYVXHFTYOBY-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1015484
FYIcenter.com

 24 24  0  0  0  0  0  0  0  0999 V2000
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015484-3D
FYIcenter.com

 66 66  0     0  0  0  0  0  0999 V2000
    4.9338    1.6329   -0.0520 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.8310    0.7710   -0.5369 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4938    1.2393    0.0249 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2828    1.1691   -0.6214 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2734    0.3963   -0.3616 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7159    3.0927   -0.4771 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0265    1.5935    1.4806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0455    0.9470    0.1862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2351    0.1188   -0.3057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5887    0.6439    0.1824 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6111   -0.2524   -0.2714 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8197   -0.1314   -0.2972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1366    0.4017    0.2726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3283   -0.4156   -0.2334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6777    0.0900    0.2857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8743   -0.6813   -0.2782 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6221   -1.8593    1.2231 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5152   -2.6105   -0.7887 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$