Molecule ID: 45266884

IUPAC Name: 2-(2,2-diphenylacetyl)oxyethyl-diethyl-propylazanium;bromide

Description: The molecule is a carboxylic ester having diphenylacetic acid as the carboxylic acid component and a 2-(trialkylammonium)ethanol as the alcohol component. It is a quaternary ammonium salt and a carboxylic ester. It contains a penotonium cation.

SMILES: CCC[N+](CC)(CC)CCOC(=O)C(c1ccccc1)c1ccccc1.[Br-]

SELFIES: [C][C][C][N+1][Branch1][Ring1][C][C][Branch1][Ring1][C][C][C][C][O][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1].[Br-1]

InChI: InChI=1S/C23H32NO2.BrH/c1-4-17-24(5-2,6-3)18-19-26-23(25)22(20-13-9-7-10-14-20)21-15-11-8-12-16-21;/h7-16,22H,4-6,17-19H2,1-3H3;1H/q+1;/p-1

Molecular Properties:
- Polar Surface Area: 26.3 Ų
- LogP: nan