Molecule FYI-1004698

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Molecule Summary:

ID: FYI-1004698
Names:
InChIKey: YFHARBHAQXVGJZ-UHFFFAOYSA-N
SMILES: C/C(C)=[N+](C)/C

Received at FYIcenter.com on: 2023-09-22

Molecule ID: FYI-1004698 Edit

Molecule Structure InChIKey: YFHARBHAQXVGJZ-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1004698
FYIcenter.com

  6  5  0  0  0  0  0  0  0  0999 V2000
    1.3568    2.1000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.5692    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8844    3.3968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5692    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7817    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004698-3D
FYIcenter.com

 18 17  0     0  0  0  0  0  0999 V2000
   -0.6304    0.0000    0.0001 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.6681    0.0000   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4402   -1.2593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4402    1.2593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4214    1.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4213   -1.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9641   -2.0076    0.6379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5205   -1.6080   -1.0324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4328   -1.0458    0.4070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9638    2.0077   -0.6377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5210    1.6078    1.0324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4327    1.0459   -0.4075 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4731    1.1226    0.2440 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3746    1.7561   -0.9933 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0241    1.9922    0.7482 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0237   -1.9926   -0.7477 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4730   -1.1228   -0.2443 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3747   -1.7559    0.9936 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-25, 1764👍, 0💬