Molecule ID: 46878358

IUPAC Name: 2-(1-cyclohexylcyclohexanecarbonyl)oxyethyl-diethylazanium;chloride

Description: The molecule is the hydrochloride salt of dicyclomine. An anticholinergic, it is used to treat or prevent spasm in the muscles of the gastrointestinal tract, particularly that associated with irritable bowel syndrome. It has a role as an antispasmodic drug and a muscarinic antagonist. It contains a dicyclomine.

SMILES: CCN(CC)CCOC(=O)C1(C2CCCCC2)CCCCC1.Cl

SELFIES: [C][C][N][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][Ring1][N].[Cl]

InChI: InChI=1S/C19H35NO2.ClH/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17;/h17H,3-16H2,1-2H3;1H

Molecular Properties:
- Polar Surface Area: 30.7 Ų
- LogP: nan