1-ethyl-1-[4-(4-propoxyphenyl)butyl]azepan-1-ium chloride

Systemtic Name: 1-ethyl-1-[4-(4-propoxyphenyl)butyl]azepan-1-ium chloride Openeye Name: 1-ethyl-1-[4-(4-propoxyphenyl)butyl]azepan-1-ium chloride CAS Name: 1-ethyl-1-[4-(4-propoxyphenyl)butyl]azepan-1-ium chloride IUPAC Name: 1-ethyl-1-[4-(4-propoxyphenyl)butyl]azepan-1-ium chloride Traditional Name: 1-ethyl-1-[4-(4-propoxyphenyl)butyl]azepan-1-ium chloride Formula: C21H36ClNO MolecularWeight: 353.96964

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)CCCC[N+]2(CCCCCC2)CC.[Cl-]

Isomeric SMILES

CCCOC1=CC=C(C=C1)CCCC[N+]2(CCCCCC2)CC.[Cl-]

InChI

InChI=1S/C21H36NO.ClH/c1-3-19-23-21-14-12-20(13-15-21)11-7-10-18-22(4-2)16-8-5-6-9-17-22;/h12-15H,3-11,16-19H2,1-2H3;1H/q+1;/p-1