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

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium chloride Openeye Name: 1-benzyl-4-(p-tolylsulfonyl)piperazin-1-ium chloride CAS Name: 1-(4-methylphenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium chloride IUPAC Name: 1-benzyl-4-(4-methylphenyl)sulfonylpiperazin-1-ium chloride Traditional Name: 1-benzyl-4-tosyl-piperazin-1-ium chloride Formula: C18H23ClN2O2S MolecularWeight: 366.90542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C18H22N2O2S.ClH/c1-16-7-9-18(10-8-16)23(21,22)20-13-11-19(12-14-20)15-17-5-3-2-4-6-17;/h2-10H,11-15H2,1H3;1H