Molecule ID: 25201876

IUPAC Name: 5-[(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)methyl]-2-methoxyphenol

Description: The molecule is an organic cation that is the conjugate acid of laudanine, obtained by protonation of the tertiary amino group. It is an ammonium ion derivative and an organic cation. It is a conjugate acid of a laudanine.

SMILES: COc1ccc(CC2c3cc(OC)c(OC)cc3CC[NH+]2C)cc1O

SELFIES: [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][C][C][NH1+1][Ring1][=C][C][C][=C][Ring2][Ring1][=Branch1][O]

InChI: InChI=1S/C20H25NO4/c1-21-8-7-14-11-19(24-3)20(25-4)12-15(14)16(21)9-13-5-6-18(23-2)17(22)10-13/h5-6,10-12,16,22H,7-9H2,1-4H3/p+1

Molecular Properties:
- Polar Surface Area: 52.4 Ų
- LogP: 3.3