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

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

Systemtic Name:3-(azepan-1-ium-1-yl)propyl N-(2-heptoxyphenyl)carbamate chloride
Openeye Name:3-(azepan-1-ium-1-yl)propyl N-(2-heptoxyphenyl)carbamate chloride
CAS Name:N-(2-heptoxyphenyl)carbamic acid 3-(1-azepan-1-iumyl)propyl ester chloride
IUPAC Name:3-(azepan-1-ium-1-yl)propyl N-(2-heptoxyphenyl)carbamate chloride
Traditional Name:N-(2-heptoxyphenyl)carbamic acid 3-(azepan-1-ium-1-yl)propyl ester chloride
Formula: C23H39ClN2O3
MolecularWeight: 427.02036
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C23H38N2O3.ClH/c1-2-3-4-7-12-19-27-22-15-9-8-14-21(22)24-23(26)28-20-13-18-25-16-10-5-6-11-17-25;/h8-9,14-15H,2-7,10-13,16-20H2,1H3,(H,24,26);1H


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