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

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

Systemtic Name:3-(azepan-1-ium-1-yl)propyl N-(2-octoxyphenyl)carbamate chloride
Openeye Name:3-(azepan-1-ium-1-yl)propyl N-(2-octoxyphenyl)carbamate chloride
CAS Name:N-(2-octoxyphenyl)carbamic acid 3-(1-azepan-1-iumyl)propyl ester chloride
IUPAC Name:3-(azepan-1-ium-1-yl)propyl N-(2-octoxyphenyl)carbamate chloride
Traditional Name:N-(2-octoxyphenyl)carbamic acid 3-(azepan-1-ium-1-yl)propyl ester chloride
Formula: C24H41ClN2O3
MolecularWeight: 441.04694
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=CC=C1NC(=O)OCCC[NH+]2CCCCCC2.[Cl-]


Isomeric SMILES

CCCCCCCCOC1=CC=CC=C1NC(=O)OCCC[NH+]2CCCCCC2.[Cl-]


InChI

InChI=1S/C24H40N2O3.ClH/c1-2-3-4-5-8-13-20-28-23-16-10-9-15-22(23)25-24(27)29-21-14-19-26-17-11-6-7-12-18-26;/h9-10,15-16H,2-8,11-14,17-21H2,1H3,(H,25,27);1H


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