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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=CC=C1NC(=O)OCC[NH+]2CCCCCC2.[Cl-]

Isomeric SMILES

CCCCCCCOC1=CC=CC=C1NC(=O)OCC[NH+]2CCCCCC2.[Cl-]

InChI

InChI=1S/C22H36N2O3.ClH/c1-2-3-4-7-12-18-26-21-14-9-8-13-20(21)23-22(25)27-19-17-24-15-10-5-6-11-16-24;/h8-9,13-14H,2-7,10-12,15-19H2,1H3,(H,23,25);1H