1-(4-methylphenyl)sulfonyl-4-phenyl-piperazin-4-ium chloride

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4-phenyl-piperazin-4-ium chloride Openeye Name: 1-phenyl-4-(p-tolylsulfonyl)piperazin-1-ium chloride CAS Name: 1-(4-methylphenyl)sulfonyl-4-phenylpiperazin-4-ium chloride IUPAC Name: 1-(4-methylphenyl)sulfonyl-4-phenylpiperazin-4-ium chloride Traditional Name: 1-phenyl-4-tosyl-piperazin-1-ium chloride Formula: C17H21ClN2O2S MolecularWeight: 352.87884

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O2S.ClH/c1-15-7-9-17(10-8-15)22(20,21)19-13-11-18(12-14-19)16-5-3-2-4-6-16;/h2-10H,11-14H2,1H3;1H