Molecule ID: 131801222

IUPAC Name: [3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-[(4-methoxyphenyl)methyl]-methylazanium

Description: The molecule is an ammonium ion resulting from the protonation of the amino group of 2-{[(4-methoxybenzyl)(methyl)amino]methyl}-2-methylpropane-1,3-diol. It is a conjugate acid of a 2-{[(4-methoxybenzyl)(methyl)amino]methyl}-2-methylpropane-1,3-diol.

SMILES: COc1ccc(C[NH+](C)CC(C)(CO)CO)cc1

SELFIES: [C][O][C][=C][C][=C][Branch1][P][C][NH1+1][Branch1][C][C][C][C][Branch1][C][C][Branch1][Ring1][C][O][C][O][C][=C][Ring1][S]

InChI: InChI=1S/C14H23NO3/c1-14(10-16,11-17)9-15(2)8-12-4-6-13(18-3)7-5-12/h4-7,16-17H,8-11H2,1-3H3/p+1

Molecular Properties:
- Polar Surface Area: 54.1 Ų
- LogP: 1.0