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

Systemtic Name: 2-chloranyl-1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-4-ium-1-yl]ethanone chloride Openeye Name: 2-chloro-1-[4-(5-chloro-2-methyl-phenyl)piperazin-4-ium-1-yl]ethanone chloride CAS Name: 2-chloro-1-[4-(5-chloro-2-methylphenyl)-1-piperazin-4-iumyl]ethanone chloride IUPAC Name: 2-chloro-1-[4-(5-chloro-2-methylphenyl)piperazin-4-ium-1-yl]ethanone chloride Traditional Name: 2-chloro-1-[4-(5-chloro-2-methyl-phenyl)piperazin-4-ium-1-yl]ethanone chloride Formula: C13H17Cl3N2O MolecularWeight: 323.64588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16Cl2N2O.ClH/c1-10-2-3-11(15)8-12(10)16-4-6-17(7-5-16)13(18)9-14;/h2-3,8H,4-7,9H2,1H3;1H