2-(azepan-1-ium-1-yl)ethyl N-[3-(propoxymethyl)phenyl]carbamate chloride

Systemtic Name: 2-(azepan-1-ium-1-yl)ethyl N-[3-(propoxymethyl)phenyl]carbamate chloride Openeye Name: 2-(azepan-1-ium-1-yl)ethyl N-[3-(propoxymethyl)phenyl]carbamate chloride CAS Name: N-[3-(propoxymethyl)phenyl]carbamic acid 2-(1-azepan-1-iumyl)ethyl ester chloride IUPAC Name: 2-(azepan-1-ium-1-yl)ethyl N-[3-(propoxymethyl)phenyl]carbamate chloride Traditional Name: N-[3-(propoxymethyl)phenyl]carbamic acid 2-(azepan-1-ium-1-yl)ethyl ester chloride Formula: C19H31ClN2O3 MolecularWeight: 370.91404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOCC1=CC(=CC=C1)NC(=O)OCC[NH+]2CCCCCC2.[Cl-]

Isomeric SMILES

CCCOCC1=CC(=CC=C1)NC(=O)OCC[NH+]2CCCCCC2.[Cl-]

InChI

InChI=1S/C19H30N2O3.ClH/c1-2-13-23-16-17-8-7-9-18(15-17)20-19(22)24-14-12-21-10-5-3-4-6-11-21;/h7-9,15H,2-6,10-14,16H2,1H3,(H,20,22);1H