Molecule Editor

Molecule ID: FYI-1017459 Edit

Molecule Structure InChIKey: TZBNLZYXRYVMNK-UHFFFAOYSA-N

Molecule Structure SMILES String: C[N+](C)(C)CC(Cl)CO

Download SDF Download SVG Structure in 2D SDF:

FYI-1017459
FYIcenter.com

  9  8  0  0  0  0  0  0  0  0999 V2000
    2.3935    0.6910    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.5903    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3936    2.0730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1968    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1968    1.3819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1968    2.7639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5654    3.0585    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  6  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1017459-3D
FYIcenter.com

 24 23  0     1  0  0  0  0  0999 V2000
    2.2588   -1.7108    0.1017 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7016    1.2195   -0.1830 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4735    0.0237   -0.0033 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.3618   -0.9687    0.3056 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9847   -0.4897   -0.2319 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5652    0.2307   -1.5083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7969   -0.5196    0.5157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1702    1.3525    0.6738 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4226    0.8624    0.3296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3353   -1.1033    1.3944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6443   -1.9257   -0.1505 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9785   -0.4427   -1.3243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6577   -0.7472   -1.9902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4566    0.8330   -1.7122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6855    0.7668   -1.8723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7187   -0.6413    1.6003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5924    0.1884    0.2640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9861   -1.4842    0.0351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5862    1.2193    1.5855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8687    2.1115   -0.0506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1346    1.7426    1.0295 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5027    0.8603    1.4203 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8689    1.7112   -0.0278 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6512    1.1939   -1.1540 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  2  9  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5  9  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
M  END
$$$$