1-(5-chloranyl-2-methyl-phenyl)-4-(phenylsulfonyl)piperazin-1-ium chloride

Systemtic Name: 1-(5-chloranyl-2-methyl-phenyl)-4-(phenylsulfonyl)piperazin-1-ium chloride Openeye Name: 1-(benzenesulfonyl)-4-(5-chloro-2-methyl-phenyl)piperazin-4-ium chloride CAS Name: 1-(benzenesulfonyl)-4-(5-chloro-2-methylphenyl)piperazin-4-ium chloride IUPAC Name: 1-(benzenesulfonyl)-4-(5-chloro-2-methylphenyl)piperazin-4-ium chloride Traditional Name: 1-besyl-4-(5-chloro-2-methyl-phenyl)piperazin-4-ium chloride Formula: C17H20Cl2N2O2S MolecularWeight: 387.3239

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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