Molecule ID: 53448504

IUPAC Name: [2-hydroxy-3-[2-(3-phenylpropanoyl)phenoxy]propyl]-propylazanium

Description: The molecule is an ammonium ion resulting from the protonation of the nitrogen of propafenone. It is a conjugate acid of a propafenone.

SMILES: CCC[NH2+]CC(O)COc1ccccc1C(=O)CCc1ccccc1

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

InChI: InChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3/p+1

Molecular Properties:
- Polar Surface Area: 63.1 Ų
- LogP: 3.3