2-butyl-1-(4-methylphenyl)sulfonyl-piperazin-4-ium chloride

Systemtic Name: 2-butyl-1-(4-methylphenyl)sulfonyl-piperazin-4-ium chloride Openeye Name: 2-butyl-1-(p-tolylsulfonyl)piperazin-4-ium chloride CAS Name: 2-butyl-1-(4-methylphenyl)sulfonylpiperazin-4-ium chloride IUPAC Name: 2-butyl-1-(4-methylphenyl)sulfonylpiperazin-4-ium chloride Traditional Name: 2-butyl-1-tosyl-piperazin-4-ium chloride Formula: C15H25ClN2O2S MolecularWeight: 332.8892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C[NH2+]CCN1S(=O)(=O)C2=CC=C(C=C2)C.[Cl-]

Isomeric SMILES

CCCCC1C[NH2+]CCN1S(=O)(=O)C2=CC=C(C=C2)C.[Cl-]

InChI

InChI=1S/C15H24N2O2S.ClH/c1-3-4-5-14-12-16-10-11-17(14)20(18,19)15-8-6-13(2)7-9-15;/h6-9,14,16H,3-5,10-12H2,1-2H3;1H