1-(3-chlorophenyl)-4-(4-methylphenyl)sulfonyl-piperazin-1-ium chloride

Systemtic Name: 1-(3-chlorophenyl)-4-(4-methylphenyl)sulfonyl-piperazin-1-ium chloride Openeye Name: 1-(3-chlorophenyl)-4-(p-tolylsulfonyl)piperazin-1-ium chloride CAS Name: 1-(3-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazin-1-ium chloride IUPAC Name: 1-(3-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazin-1-ium chloride Traditional Name: 1-(3-chlorophenyl)-4-tosyl-piperazin-1-ium chloride Formula: C17H20Cl2N2O2S MolecularWeight: 387.3239

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C3=CC(=CC=C3)Cl.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C3=CC(=CC=C3)Cl.[Cl-]

InChI

InChI=1S/C17H19ClN2O2S.ClH/c1-14-5-7-17(8-6-14)23(21,22)20-11-9-19(10-12-20)16-4-2-3-15(18)13-16;/h2-8,13H,9-12H2,1H3;1H