Molecule ID: 440929

IUPAC Name: 11,15-dimethoxy-24-methyl-5,7,18,20-tetraoxa-24-azoniahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14,16,21,23-nonaene

Description: The molecule is a benzophenanthridine alkaloid that is sanguinarine bearing two methoxy substituents. It is a benzophenanthridine alkaloid and an organic cation. It derives from a hydride of a sanguinarine.

SMILES: COc1cc2c3c(OC)cc4c(c3c[n+](C)c2c2cc3c(cc12)OCO3)OCO4

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

InChI: InChI=1S/C22H18NO6/c1-23-8-14-20(18(25-3)7-19-22(14)29-10-28-19)13-6-15(24-2)11-4-16-17(27-9-26-16)5-12(11)21(13)23/h4-8H,9-10H2,1-3H3/q+1

Molecular Properties:
- Polar Surface Area: 59.3 Ų
- LogP: 4.4