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

Systemtic Name: 4-chloranyl-1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-4-ium-1-yl]butan-1-one chloride Openeye Name: 4-chloro-1-[4-(5-chloro-2-methyl-phenyl)piperazin-4-ium-1-yl]butan-1-one chloride CAS Name: 4-chloro-1-[4-(5-chloro-2-methylphenyl)-1-piperazin-4-iumyl]-1-butanone chloride IUPAC Name: 4-chloro-1-[4-(5-chloro-2-methylphenyl)piperazin-4-ium-1-yl]butan-1-one chloride Traditional Name: 4-chloro-1-[4-(5-chloro-2-methyl-phenyl)piperazin-4-ium-1-yl]butan-1-one chloride Formula: C15H21Cl3N2O MolecularWeight: 351.69904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20Cl2N2O.ClH/c1-12-4-5-13(17)11-14(12)18-7-9-19(10-8-18)15(20)3-2-6-16;/h4-5,11H,2-3,6-10H2,1H3;1H