4-methyl-1-(4-methylphenyl)sulfonyl-2-octyl-piperazin-4-ium chloride

Systemtic Name: 4-methyl-1-(4-methylphenyl)sulfonyl-2-octyl-piperazin-4-ium chloride Openeye Name: 4-methyl-2-octyl-1-(p-tolylsulfonyl)piperazin-4-ium chloride CAS Name: 4-methyl-1-(4-methylphenyl)sulfonyl-2-octylpiperazin-4-ium chloride IUPAC Name: 4-methyl-1-(4-methylphenyl)sulfonyl-2-octylpiperazin-4-ium chloride Traditional Name: 4-methyl-2-octyl-1-tosyl-piperazin-4-ium chloride Formula: C20H35ClN2O2S MolecularWeight: 403.0221

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H34N2O2S.ClH/c1-4-5-6-7-8-9-10-19-17-21(3)15-16-22(19)25(23,24)20-13-11-18(2)12-14-20;/h11-14,19H,4-10,15-17H2,1-3H3;1H