[4-(3-chlorophenyl)piperazin-4-ium-1-yl]-(4-methylphenyl)methanone chloride

Systemtic Name: [4-(3-chlorophenyl)piperazin-4-ium-1-yl]-(4-methylphenyl)methanone chloride Openeye Name: [4-(3-chlorophenyl)piperazin-4-ium-1-yl]-(p-tolyl)methanone chloride CAS Name: [4-(3-chlorophenyl)-1-piperazin-4-iumyl]-(4-methylphenyl)methanone chloride IUPAC Name: [4-(3-chlorophenyl)piperazin-4-ium-1-yl]-(4-methylphenyl)methanone chloride Traditional Name: [4-(3-chlorophenyl)piperazin-4-ium-1-yl]-(p-tolyl)methanone chloride Formula: C18H20Cl2N2O MolecularWeight: 351.2702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)C3=CC(=CC=C3)Cl.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)C3=CC(=CC=C3)Cl.[Cl-]

InChI

InChI=1S/C18H19ClN2O.ClH/c1-14-5-7-15(8-6-14)18(22)21-11-9-20(10-12-21)17-4-2-3-16(19)13-17;/h2-8,13H,9-12H2,1H3;1H