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

Systemtic Name: 3-(azepan-1-ium-1-yl)propyl N-(2-nonoxyphenyl)carbamate chloride Openeye Name: 3-(azepan-1-ium-1-yl)propyl N-(2-nonoxyphenyl)carbamate chloride CAS Name: N-(2-nonoxyphenyl)carbamic acid 3-(1-azepan-1-iumyl)propyl ester chloride IUPAC Name: 3-(azepan-1-ium-1-yl)propyl N-(2-nonoxyphenyl)carbamate chloride Traditional Name: N-(2-nonoxyphenyl)carbamic acid 3-(azepan-1-ium-1-yl)propyl ester chloride Formula: C25H43ClN2O3 MolecularWeight: 455.07352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC=CC=C1NC(=O)OCCC[NH+]2CCCCCC2.[Cl-]

Isomeric SMILES

CCCCCCCCCOC1=CC=CC=C1NC(=O)OCCC[NH+]2CCCCCC2.[Cl-]

InChI

InChI=1S/C25H42N2O3.ClH/c1-2-3-4-5-6-9-14-21-29-24-17-11-10-16-23(24)26-25(28)30-22-15-20-27-18-12-7-8-13-19-27;/h10-11,16-17H,2-9,12-15,18-22H2,1H3,(H,26,28);1H