Molecule ID: 25202905

IUPAC Name: 4-[(7-hydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)methyl]benzene-1,2-diol

Description: The molecule is conjugate acid of 6-O-methylnorlaudanosoline arising from protonation of the isoquinoline nitrogen. It is a conjugate acid of a 6-O-methylnorlaudanosoline.

SMILES: COc1cc2c(cc1O)C(Cc1ccc(O)c(O)c1)[NH2+]CC2

SELFIES: [C][O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][O][C][Branch1][S][C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][NH2+1][C][C][Ring2][Ring1][C]

InChI: InChI=1S/C17H19NO4/c1-22-17-8-11-4-5-18-13(12(11)9-16(17)21)6-10-2-3-14(19)15(20)7-10/h2-3,7-9,13,18-21H,4-6H2,1H3/p+1

Molecular Properties:
- Polar Surface Area: 86.5 Ų
- LogP: 2.2