2-octyl-1-(phenylsulfonyl)piperazin-4-ium chloride

Systemtic Name: 2-octyl-1-(phenylsulfonyl)piperazin-4-ium chloride Openeye Name: 1-(benzenesulfonyl)-2-octyl-piperazin-4-ium chloride CAS Name: 1-(benzenesulfonyl)-2-octylpiperazin-4-ium chloride IUPAC Name: 1-(benzenesulfonyl)-2-octylpiperazin-4-ium chloride Traditional Name: 1-besyl-2-octyl-piperazin-4-ium chloride Formula: C18H31ClN2O2S MolecularWeight: 374.96894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1C[NH2+]CCN1S(=O)(=O)C2=CC=CC=C2.[Cl-]

Isomeric SMILES

CCCCCCCCC1C[NH2+]CCN1S(=O)(=O)C2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C18H30N2O2S.ClH/c1-2-3-4-5-6-8-11-17-16-19-14-15-20(17)23(21,22)18-12-9-7-10-13-18;/h7,9-10,12-13,17,19H,2-6,8,11,14-16H2,1H3;1H