3-(azepan-1-ium-1-yl)-N-(4-chlorophenyl)propanamide chloride

Systemtic Name: 3-(azepan-1-ium-1-yl)-N-(4-chlorophenyl)propanamide chloride Openeye Name: 3-(azepan-1-ium-1-yl)-N-(4-chlorophenyl)propanamide chloride CAS Name: 3-(1-azepan-1-iumyl)-N-(4-chlorophenyl)propanamide chloride IUPAC Name: 3-(azepan-1-ium-1-yl)-N-(4-chlorophenyl)propanamide chloride Traditional Name: 3-(azepan-1-ium-1-yl)-N-(4-chlorophenyl)propionamide chloride Formula: C15H22Cl2N2O MolecularWeight: 317.25398

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCC(=O)NC2=CC=C(C=C2)Cl.[Cl-]

Isomeric SMILES

C1CCC[NH+](CC1)CCC(=O)NC2=CC=C(C=C2)Cl.[Cl-]

InChI

InChI=1S/C15H21ClN2O.ClH/c16-13-5-7-14(8-6-13)17-15(19)9-12-18-10-3-1-2-4-11-18;/h5-8H,1-4,9-12H2,(H,17,19);1H