Molecule ID: 201298

IUPAC Name: (12S)-17-methoxy-11,11-dimethyl-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 a aporphine alkaloid that is the quaternary ammonium ion obtained by methylation of the tertiary amino group of bulbocapnine. It is an aporphine alkaloid and a quaternary ammonium ion. It derives from a bulbocapnine.

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

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

InChI: InChI=1S/C20H21NO4/c1-21(2)7-6-12-9-15-20(25-10-24-15)18-16(12)13(21)8-11-4-5-14(23-3)19(22)17(11)18/h4-5,9,13H,6-8,10H2,1-3H3/p+1/t13-/m0/s1

Molecular Properties:
- Polar Surface Area: 47.9 Ų
- LogP: 2.9