2-(azepan-1-ium-1-yl)ethyl N-(2-octoxyphenyl)carbamate chloride

Systemtic Name: 2-(azepan-1-ium-1-yl)ethyl N-(2-octoxyphenyl)carbamate chloride Openeye Name: 2-(azepan-1-ium-1-yl)ethyl N-(2-octoxyphenyl)carbamate chloride CAS Name: N-(2-octoxyphenyl)carbamic acid 2-(1-azepan-1-iumyl)ethyl ester chloride IUPAC Name: 2-(azepan-1-ium-1-yl)ethyl N-(2-octoxyphenyl)carbamate chloride Traditional Name: N-(2-octoxyphenyl)carbamic acid 2-(azepan-1-ium-1-yl)ethyl ester chloride Formula: C23H39ClN2O3 MolecularWeight: 427.02036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=CC=C1NC(=O)OCC[NH+]2CCCCCC2.[Cl-]

Isomeric SMILES

CCCCCCCCOC1=CC=CC=C1NC(=O)OCC[NH+]2CCCCCC2.[Cl-]

InChI

InChI=1S/C23H38N2O3.ClH/c1-2-3-4-5-8-13-19-27-22-15-10-9-14-21(22)24-23(26)28-20-18-25-16-11-6-7-12-17-25;/h9-10,14-15H,2-8,11-13,16-20H2,1H3,(H,24,26);1H