Molecule ID: 145944412

IUPAC Name: 2-(4-cyano-2,5-dimethoxyphenyl)ethyl-[(2-hydroxyphenyl)methyl]azanium

Description: The molecule is an ammonium ion derivative resulting from the protonation of the amino group of 4-{2-[(2-hydroxybenzyl)amino]ethyl}-2,5-dimethoxybenzonitrile. It is a conjugate acid of a 4-{2-[(2-hydroxybenzyl)amino]ethyl}-2,5-dimethoxybenzonitrile.

SMILES: COc1cc(CCNCc2ccccc2O)c(OC)cc1C#[NH+]

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

InChI: InChI=1S/C18H20N2O3/c1-22-17-10-15(11-19)18(23-2)9-13(17)7-8-20-12-14-5-3-4-6-16(14)21/h3-6,9-10,20-21H,7-8,12H2,1-2H3/p+1

Molecular Properties:
- Polar Surface Area: 79.1 Ų
- LogP: 3.1