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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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