Molecule ID: 6994719

IUPAC Name: (3-hydroxy-4-methoxyphenyl)methyl-[2-(4-hydroxyphenyl)ethyl]azanium

Description: The molecule is an organic cation obtained by protonation of the secondary amino group of 4'-O-methylnorbelladine; major species at pH 7.3. It is an ammonium ion derivative and an organic cation. It is a conjugate acid of a 4'-O-methylnorbelladine.

SMILES: COc1ccc(C[NH2+]CCc2ccc(O)cc2)cc1O

SELFIES: [C][O][C][=C][C][=C][Branch1][S][C][NH2+1][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring1][P][O]

InChI: InChI=1S/C16H19NO3/c1-20-16-7-4-13(10-15(16)19)11-17-9-8-12-2-5-14(18)6-3-12/h2-7,10,17-19H,8-9,11H2,1H3/p+1

Molecular Properties:
- Polar Surface Area: 66.3 Ų
- LogP: 2.5