Molecule ID: 122391297

IUPAC Name: (3,4-dihydroxyphenyl)methyl-[2-(4-hydroxyphenyl)ethyl]azanium

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

SMILES: Oc1ccc(CC[NH2+]Cc2ccc(O)c(O)c2)cc1

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

InChI: InChI=1S/C15H17NO3/c17-13-4-1-11(2-5-13)7-8-16-10-12-3-6-14(18)15(19)9-12/h1-6,9,16-19H,7-8,10H2/p+1

Molecular Properties:
- Polar Surface Area: 77.3 Ų
- LogP: 2.2