Molecule Editor

Molecule ID: FYI-1017458 Edit

Molecule Structure InChIKey: SVMYVYPFRUNJLY-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1017458
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 O   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-1017458-3D
FYIcenter.com

 25 24  0     1  0  0  0  0  0999 V2000
    0.9726    1.2796   -0.1674 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3746   -0.0253    0.2779 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5256   -0.0822    0.0178 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.2557   -0.7549   -0.4831 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9826   -0.1161    0.1366 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5834   -0.1739    1.5359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5241    1.3805   -0.4024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7391   -0.7803   -0.5790 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2981   -0.7274   -0.3364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2503   -0.6545   -1.5753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3171   -1.8192   -0.2272 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9761   -0.1964    1.2275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8395    0.4868    1.9873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5785    0.1535    1.8548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4223   -1.2150    1.8308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5674    1.7184   -0.4062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0134    2.0034    0.3358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1361    1.4762   -1.4208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6865   -0.6910   -1.6682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7150   -1.8320   -0.2784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6452   -0.2989   -0.1991 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4168   -0.6351   -1.4208 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3674   -1.7839   -0.0613 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1700    1.3785   -1.1148 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2939    0.9106    0.0261 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 24  1  0  0  0  0
  2  9  1  0  0  0  0
  2 25  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
$$$$