Molecule FYI-1017457

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Molecule Summary:

ID: FYI-1017457
Names:
InChIKey: AACHVWXCVWWMSI-UHFFFAOYSA-N
SMILES: C[N+](C)(C)CCCO

Received at FYIcenter.com on: 2026-07-06

Molecule ID: FYI-1017457 Edit

Molecule Structure InChIKey: AACHVWXCVWWMSI-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1017457
FYIcenter.com

  8  7  0  0  0  0  0  0  0  0999 V2000
    2.2215    0.6413    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.3323    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2216    1.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1108    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1108    1.2826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1108    2.5653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6066    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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1017457-3D
FYIcenter.com

 24 23  0     0  0  0  0  0  0999 V2000
    3.4679    0.3660    0.0060 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3911    0.0086    0.0012 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.0961   -0.7901   -0.0341 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0813    0.1696   -0.0122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4403    0.9486   -1.1948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5763   -0.9445   -0.0535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4518    0.8204    1.2871 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4065   -0.5786    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0906   -1.4572    0.8358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1009   -1.3970   -0.9472 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0761    0.8214    0.8663 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0980    0.8273   -0.8872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2085    0.3800   -2.1002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4549    1.3552   -1.2616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7449    1.7796   -1.0538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5225   -1.6117    0.8119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4997   -0.3584   -0.0258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5165   -1.5169   -0.9840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2237    0.1628    2.1311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7596    1.6641    1.2385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4685    1.2144    1.3884 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5130   -1.2040   -0.8915 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5012   -1.2167    0.8847 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3908    0.8905    0.8212 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4  8  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
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
M  END
$$$$

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