Molecule ID: 25271633

IUPAC Name: (12S)-17-methoxy-11-methyl-3,5-dioxa-11-azoniapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaen-18-ol

Description: The molecule is an organic cation that is the conjugate acid of bulbocapnine, obtained by protonation of the tertiary amino group; major species at pH 7.3. It is an ammonium ion derivative and an organic cation. It is a conjugate acid of a bulbocapnine.

SMILES: COc1ccc2c(c1O)-c1c3c(cc4c1[C@H](C2)[NH+](C)CC4)OCO3

SELFIES: [C][O][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][C][=C][C][=Branch2][Ring1][Ring2][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][Ring2][C][Ring1][N][NH1+1][Branch1][C][C][C][C][Ring1][Branch2][O][C][O][Ring1][=C]

InChI: InChI=1S/C19H19NO4/c1-20-6-5-11-8-14-19(24-9-23-14)17-15(11)12(20)7-10-3-4-13(22-2)18(21)16(10)17/h3-4,8,12,21H,5-7,9H2,1-2H3/p+1/t12-/m0/s1

Molecular Properties:
- Polar Surface Area: 52.4 Ų
- LogP: 2.9