4-(azepan-1-ium-1-yl)-1-(4-chlorophenyl)-2-phenyl-butan-1-one chloride

Systemtic Name: 4-(azepan-1-ium-1-yl)-1-(4-chlorophenyl)-2-phenyl-butan-1-one chloride Openeye Name: 4-(azepan-1-ium-1-yl)-1-(4-chlorophenyl)-2-phenyl-butan-1-one chloride CAS Name: 4-(1-azepan-1-iumyl)-1-(4-chlorophenyl)-2-phenyl-1-butanone chloride IUPAC Name: 4-(azepan-1-ium-1-yl)-1-(4-chlorophenyl)-2-phenylbutan-1-one chloride Traditional Name: 4-(azepan-1-ium-1-yl)-1-(4-chlorophenyl)-2-phenyl-butan-1-one chloride Formula: C22H27Cl2NO MolecularWeight: 392.36188

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCC(C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Cl.[Cl-]

Isomeric SMILES

C1CCC[NH+](CC1)CCC(C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Cl.[Cl-]

InChI

InChI=1S/C22H26ClNO.ClH/c23-20-12-10-19(11-13-20)22(25)21(18-8-4-3-5-9-18)14-17-24-15-6-1-2-7-16-24;/h3-5,8-13,21H,1-2,6-7,14-17H2;1H