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

Systemtic Name: [4-(5-chloranyl-2-methyl-phenyl)piperazin-4-ium-1-yl]-phenyl-methanone chloride Openeye Name: [4-(5-chloro-2-methyl-phenyl)piperazin-4-ium-1-yl]-phenyl-methanone chloride CAS Name: [4-(5-chloro-2-methylphenyl)-1-piperazin-4-iumyl]-phenylmethanone chloride IUPAC Name: [4-(5-chloro-2-methylphenyl)piperazin-4-ium-1-yl]-phenylmethanone chloride Traditional Name: [4-(5-chloro-2-methyl-phenyl)piperazin-4-ium-1-yl]-phenyl-methanone chloride Formula: C18H20Cl2N2O MolecularWeight: 351.2702

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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.[Cl-]

Isomeric SMILES

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

InChI

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