Molecule ID: 161243

IUPAC Name: 15-methoxy-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 a methoxy substituent at position 10. It is a benzophenanthridine alkaloid and an organic cation. It derives from a hydride of a sanguinarine.

SMILES: COc1cc2c(c3c[n+](C)c4c5cc6c(cc5ccc4c13)OCO6)OCO2

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

InChI: InChI=1S/C21H16NO5/c1-22-8-14-19(17(23-2)7-18-21(14)27-10-26-18)12-4-3-11-5-15-16(25-9-24-15)6-13(11)20(12)22/h3-8H,9-10H2,1-2H3/q+1

Molecular Properties:
- Polar Surface Area: 50.0 Ų
- LogP: 4.4