Molecule ID: 6987464

IUPAC Name: (1S,2R,9S,10S)-7-aza-15-azoniatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one

Description: The molecule is an organic cation that is the conjugate acid of lupanine, arising from protonation of the tertiary amino function; major species at pH 7.3. It is an ammonium ion derivative and an organic cation. It is a conjugate acid of a lupanine.

SMILES: O=C1CCC[C@@H]2[C@H]3C[C@@H](CN12)[C@@H]1CCCC[NH+]1C3

SELFIES: [O][=C][C][C][C][C@@H1][C@H1][C][C@@H1][Branch1][#Branch1][C][N][Ring1][#Branch2][Ring1][=Branch1][C@@H1][C][C][C][C][NH1+1][Ring1][=Branch1][C][Ring1][N]

InChI: InChI=1S/C15H24N2O/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11/h11-14H,1-10H2/p+1/t11-,12-,13-,14+/m0/s1

Molecular Properties:
- Polar Surface Area: 24.8 Ų
- LogP: 1.6