2-(azepan-1-ium-1-yl)ethyl N-[3-(pentoxymethyl)phenyl]carbamate chloride

Systemtic Name: 2-(azepan-1-ium-1-yl)ethyl N-[3-(pentoxymethyl)phenyl]carbamate chloride Openeye Name: 2-(azepan-1-ium-1-yl)ethyl N-[3-(pentoxymethyl)phenyl]carbamate chloride CAS Name: N-[3-(pentoxymethyl)phenyl]carbamic acid 2-(1-azepan-1-iumyl)ethyl ester chloride IUPAC Name: 2-(azepan-1-ium-1-yl)ethyl N-[3-(pentoxymethyl)phenyl]carbamate chloride Traditional Name: N-[3-(amoxymethyl)phenyl]carbamic acid 2-(azepan-1-ium-1-yl)ethyl ester chloride Formula: C21H35ClN2O3 MolecularWeight: 398.9672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOCC1=CC(=CC=C1)NC(=O)OCC[NH+]2CCCCCC2.[Cl-]

Isomeric SMILES

CCCCCOCC1=CC(=CC=C1)NC(=O)OCC[NH+]2CCCCCC2.[Cl-]

InChI

InChI=1S/C21H34N2O3.ClH/c1-2-3-8-15-25-18-19-10-9-11-20(17-19)22-21(24)26-16-14-23-12-6-4-5-7-13-23;/h9-11,17H,2-8,12-16,18H2,1H3,(H,22,24);1H