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

Systemtic Name: [4-(5-chloranyl-2-methyl-phenyl)piperazin-4-ium-1-yl]-(3-chlorophenyl)methanone Openeye Name: [4-(5-chloro-2-methyl-phenyl)piperazin-4-ium-1-yl]-(3-chlorophenyl)methanone CAS Name: [4-(5-chloro-2-methylphenyl)-1-piperazin-4-iumyl]-(3-chlorophenyl)methanone IUPAC Name: [4-(5-chloro-2-methylphenyl)piperazin-4-ium-1-yl]-(3-chlorophenyl)methanone Traditional Name: [4-(5-chloro-2-methyl-phenyl)piperazin-4-ium-1-yl]-(3-chlorophenyl)methanone Formula: C18H19Cl2N2O+ MolecularWeight: 350.26226

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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/C18H18Cl2N2O/c1-13-5-6-16(20)12-17(13)21-7-9-22(10-8-21)18(23)14-3-2-4-15(19)11-14/h2-6,11-12H,7-10H2,1H3/p+1