Molecule ID: 11548

IUPAC Name: 2-carbamoyloxypropyl(trimethyl)azanium;chloride

Description: The molecule is the chloride salt of bethanechol. A slowly hydrolysed muscarinic agonist with no nicotinic effects, it is used to increase smooth muscle tone, as in the gastrointestinal tract following abdominal surgery, treatment of gastro-oesophageal reflux disease, and as an alternative to catheterisation in the treatment of non-obstructive urinary retention. It has a role as a muscarinic agonist. It is a carbamate ester, a quaternary ammonium salt and a chloride salt. It contains a bethanechol.

SMILES: CC(C[N+](C)(C)C)OC(=N)[O-].Cl

SELFIES: [C][C][Branch1][#Branch2][C][N+1][Branch1][C][C][Branch1][C][C][C][O][C][=Branch1][C][=N][O-1].[Cl]

InChI: InChI=1S/C7H16N2O2.ClH/c1-6(11-7(8)10)5-9(2,3)4;/h6H,5H2,1-4H3,(H-,8,10);1H

Molecular Properties:
- Polar Surface Area: 52.3 Ų
- LogP: nan