1-(4-methylphenyl)sulfonyl-3-octyl-piperazin-4-ium chloride

Systemtic Name: 1-(4-methylphenyl)sulfonyl-3-octyl-piperazin-4-ium chloride Openeye Name: 3-octyl-1-(p-tolylsulfonyl)piperazin-4-ium chloride CAS Name: 1-(4-methylphenyl)sulfonyl-3-octylpiperazin-4-ium chloride IUPAC Name: 1-(4-methylphenyl)sulfonyl-3-octylpiperazin-4-ium chloride Traditional Name: 3-octyl-1-tosyl-piperazin-4-ium chloride Formula: C19H33ClN2O2S MolecularWeight: 388.99552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CN(CC[NH2+]1)S(=O)(=O)C2=CC=C(C=C2)C.[Cl-]

Isomeric SMILES

CCCCCCCCC1CN(CC[NH2+]1)S(=O)(=O)C2=CC=C(C=C2)C.[Cl-]

InChI

InChI=1S/C19H32N2O2S.ClH/c1-3-4-5-6-7-8-9-18-16-21(15-14-20-18)24(22,23)19-12-10-17(2)11-13-19;/h10-13,18,20H,3-9,14-16H2,1-2H3;1H