3-(azepan-1-ium-1-yl)propyl N-(2-hexoxyphenyl)carbamate chloride

Systemtic Name: 3-(azepan-1-ium-1-yl)propyl N-(2-hexoxyphenyl)carbamate chloride Openeye Name: 3-(azepan-1-ium-1-yl)propyl N-(2-hexoxyphenyl)carbamate chloride CAS Name: N-(2-hexoxyphenyl)carbamic acid 3-(1-azepan-1-iumyl)propyl ester chloride IUPAC Name: 3-(azepan-1-ium-1-yl)propyl N-(2-hexoxyphenyl)carbamate chloride Traditional Name: N-(2-hexoxyphenyl)carbamic acid 3-(azepan-1-ium-1-yl)propyl ester chloride Formula: C22H37ClN2O3 MolecularWeight: 412.99378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1NC(=O)OCCC[NH+]2CCCCCC2.[Cl-]

Isomeric SMILES

CCCCCCOC1=CC=CC=C1NC(=O)OCCC[NH+]2CCCCCC2.[Cl-]

InChI

InChI=1S/C22H36N2O3.ClH/c1-2-3-4-11-18-26-21-14-8-7-13-20(21)23-22(25)27-19-12-17-24-15-9-5-6-10-16-24;/h7-8,13-14H,2-6,9-12,15-19H2,1H3,(H,23,25);1H