Molecule ID: 10888489

IUPAC Name: 3-[(1R,2S)-1-methyl-1-oxidopyrrolidin-1-ium-2-yl]pyridine

Description: The molecule is an (S)-nicotine N(1')-oxide in which the N(1')-methyl group is on the same side of the pyrrolidine ring as the pyridine substituent. The major species at pH 7.3.

SMILES: C[N@@+]1([O-])CCC[C@H]1c1cccnc1

SELFIES: [C][N@@+1][Branch1][C][O-1][C][C][C][C@H1][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1]

InChI: InChI=1S/C10H14N2O/c1-12(13)7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-,12+/m0/s1

Molecular Properties:
- Polar Surface Area: 31.0 Ų
- LogP: 0.7