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

Systemtic Name: 1-(5-chloranyl-2-methyl-phenyl)-4-(4-methylphenyl)sulfonyl-piperazin-1-ium chloride Openeye Name: 1-(5-chloro-2-methyl-phenyl)-4-(p-tolylsulfonyl)piperazin-1-ium chloride CAS Name: 1-(5-chloro-2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazin-1-ium chloride IUPAC Name: 1-(5-chloro-2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazin-1-ium chloride Traditional Name: 1-(5-chloro-2-methyl-phenyl)-4-tosyl-piperazin-1-ium chloride Formula: C18H22Cl2N2O2S MolecularWeight: 401.35048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN2O2S.ClH/c1-14-3-7-17(8-4-14)24(22,23)21-11-9-20(10-12-21)18-13-16(19)6-5-15(18)2;/h3-8,13H,9-12H2,1-2H3;1H