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

Systemtic Name: 2-hexyl-1-(4-methylphenyl)sulfonyl-piperazin-4-ium chloride Openeye Name: 2-hexyl-1-(p-tolylsulfonyl)piperazin-4-ium chloride CAS Name: 2-hexyl-1-(4-methylphenyl)sulfonylpiperazin-4-ium chloride IUPAC Name: 2-hexyl-1-(4-methylphenyl)sulfonylpiperazin-4-ium chloride Traditional Name: 2-hexyl-1-tosyl-piperazin-4-ium chloride Formula: C17H29ClN2O2S MolecularWeight: 360.94236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C[NH2+]CCN1S(=O)(=O)C2=CC=C(C=C2)C.[Cl-]

Isomeric SMILES

CCCCCCC1C[NH2+]CCN1S(=O)(=O)C2=CC=C(C=C2)C.[Cl-]

InChI

InChI=1S/C17H28N2O2S.ClH/c1-3-4-5-6-7-16-14-18-12-13-19(16)22(20,21)17-10-8-15(2)9-11-17;/h8-11,16,18H,3-7,12-14H2,1-2H3;1H