(3-methylphenyl)-(4-methylpiperazin-4-ium-1-yl)methanone chloride

Systemtic Name: (3-methylphenyl)-(4-methylpiperazin-4-ium-1-yl)methanone chloride Openeye Name: (4-methylpiperazin-4-ium-1-yl)-(m-tolyl)methanone chloride CAS Name: (3-methylphenyl)-(4-methyl-1-piperazin-4-iumyl)methanone chloride IUPAC Name: (3-methylphenyl)-(4-methylpiperazin-4-ium-1-yl)methanone chloride Traditional Name: (4-methylpiperazin-4-ium-1-yl)-(m-tolyl)methanone chloride Formula: C13H19ClN2O MolecularWeight: 254.75576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O.ClH/c1-11-4-3-5-12(10-11)13(16)15-8-6-14(2)7-9-15;/h3-5,10H,6-9H2,1-2H3;1H