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

Systemtic Name: (3-methylphenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone chloride Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(m-tolyl)methanone chloride CAS Name: (3-methylphenyl)-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone chloride IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(3-methylphenyl)methanone chloride Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(m-tolyl)methanone chloride Formula: C19H23ClN2O MolecularWeight: 330.85172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C19H22N2O.ClH/c1-16-6-5-9-18(14-16)19(22)21-12-10-20(11-13-21)15-17-7-3-2-4-8-17;/h2-9,14H,10-13,15H2,1H3;1H