2-(azepan-1-ium-1-yl)ethyl N-(3-butoxyphenyl)carbamate chloride

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)NC(=O)OCC[NH+]2CCCCCC2.[Cl-]

Isomeric SMILES

CCCCOC1=CC=CC(=C1)NC(=O)OCC[NH+]2CCCCCC2.[Cl-]

InChI

InChI=1S/C19H30N2O3.ClH/c1-2-3-14-23-18-10-8-9-17(16-18)20-19(22)24-15-13-21-11-6-4-5-7-12-21;/h8-10,16H,2-7,11-15H2,1H3,(H,20,22);1H