2-(azepan-1-ium-1-yl)ethyl N-(4-pentoxyphenyl)carbamate chloride

Systemtic Name: 2-(azepan-1-ium-1-yl)ethyl N-(4-pentoxyphenyl)carbamate chloride Openeye Name: 2-(azepan-1-ium-1-yl)ethyl N-(4-pentoxyphenyl)carbamate chloride CAS Name: N-(4-pentoxyphenyl)carbamic acid 2-(1-azepan-1-iumyl)ethyl ester chloride IUPAC Name: 2-(azepan-1-ium-1-yl)ethyl N-(4-pentoxyphenyl)carbamate chloride Traditional Name: N-(4-amoxyphenyl)carbamic acid 2-(azepan-1-ium-1-yl)ethyl ester chloride Formula: C20H33ClN2O3 MolecularWeight: 384.94062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)NC(=O)OCC[NH+]2CCCCCC2.[Cl-]

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)NC(=O)OCC[NH+]2CCCCCC2.[Cl-]

InChI

InChI=1S/C20H32N2O3.ClH/c1-2-3-8-16-24-19-11-9-18(10-12-19)21-20(23)25-17-15-22-13-6-4-5-7-14-22;/h9-12H,2-8,13-17H2,1H3,(H,21,23);1H