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

Systemtic Name: 3-(azepan-1-ium-1-yl)propyl N-(2-pentoxyphenyl)carbamate chloride Openeye Name: 3-(azepan-1-ium-1-yl)propyl N-(2-pentoxyphenyl)carbamate chloride CAS Name: N-(2-pentoxyphenyl)carbamic acid 3-(1-azepan-1-iumyl)propyl ester chloride IUPAC Name: 3-(azepan-1-ium-1-yl)propyl N-(2-pentoxyphenyl)carbamate chloride Traditional Name: N-(2-amoxyphenyl)carbamic acid 3-(azepan-1-ium-1-yl)propyl ester chloride Formula: C21H35ClN2O3 MolecularWeight: 398.9672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1NC(=O)OCCC[NH+]2CCCCCC2.[Cl-]

Isomeric SMILES

CCCCCOC1=CC=CC=C1NC(=O)OCCC[NH+]2CCCCCC2.[Cl-]

InChI

InChI=1S/C21H34N2O3.ClH/c1-2-3-10-17-25-20-13-7-6-12-19(20)22-21(24)26-18-11-16-23-14-8-4-5-9-15-23;/h6-7,12-13H,2-5,8-11,14-18H2,1H3,(H,22,24);1H