[4-(5-chloranyl-2-methyl-phenyl)piperazin-4-ium-1-yl]-(3-methylphenyl)methanone chloride

Systemtic Name: [4-(5-chloranyl-2-methyl-phenyl)piperazin-4-ium-1-yl]-(3-methylphenyl)methanone chloride Openeye Name: [4-(5-chloro-2-methyl-phenyl)piperazin-4-ium-1-yl]-(m-tolyl)methanone chloride CAS Name: [4-(5-chloro-2-methylphenyl)-1-piperazin-4-iumyl]-(3-methylphenyl)methanone chloride IUPAC Name: [4-(5-chloro-2-methylphenyl)piperazin-4-ium-1-yl]-(3-methylphenyl)methanone chloride Traditional Name: [4-(5-chloro-2-methyl-phenyl)piperazin-4-ium-1-yl]-(m-tolyl)methanone chloride Formula: C19H22Cl2N2O MolecularWeight: 365.29678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)C.[Cl-]

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)C.[Cl-]

InChI

InChI=1S/C19H21ClN2O.ClH/c1-14-4-3-5-16(12-14)19(23)22-10-8-21(9-11-22)18-13-17(20)7-6-15(18)2;/h3-7,12-13H,8-11H2,1-2H3;1H