Molecule FYI-1003196

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A

Molecule Summary:

ID: FYI-1003196
Names:
InChIKey: OEYIOHPDSNJKLS-UHFFFAOYSA-N
SMILES: C[N+](C)(C)CCO

Received at FYIcenter.com on: 2023-05-22

Molecule ID: FYI-1003196 Edit

Molecule Structure InChIKey: OEYIOHPDSNJKLS-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1003196
FYIcenter.com

  7  6  0  0  0  0  0  0  0  0999 V2000
    2.9374    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.2124    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.8498    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3374    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5124    0.0000 O   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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003196-3D
FYIcenter.com

 21 20  0     0  0  0  0  0  0999 V2000
    2.8438   -0.2447   -0.0001 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8815   -0.0256    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.4860   -0.6925    0.0389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0018    0.8116   -1.2653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9665   -1.0928    0.0074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0437    0.8711    1.2189 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5636    0.3730    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5503   -1.2977    0.9513 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5649   -1.3696   -0.8202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6981    0.2022   -2.1215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0502    1.1084   -1.3741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3944    1.7160   -1.1807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8610   -1.6856    0.9208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9431   -0.6003   -0.0166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8360   -1.7236   -0.8770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7933    0.2953    2.1147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4097    1.7559    1.1247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0891    1.1937    1.2633 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5343    0.9794   -0.9066 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5448    1.0391    0.8656 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9121   -0.7787    0.8097 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 21  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
  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
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
M  END
$$$$

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2023-06-12, 1528👍, 0💬