1-(4-chlorophenyl)sulfonyl-4-methyl-2-tridecyl-piperazin-4-ium chloride

Systemtic Name: 1-(4-chlorophenyl)sulfonyl-4-methyl-2-tridecyl-piperazin-4-ium chloride Openeye Name: 1-(4-chlorophenyl)sulfonyl-4-methyl-2-tridecyl-piperazin-4-ium chloride CAS Name: 1-(4-chlorophenyl)sulfonyl-4-methyl-2-tridecylpiperazin-4-ium chloride IUPAC Name: 1-(4-chlorophenyl)sulfonyl-4-methyl-2-tridecylpiperazin-4-ium chloride Traditional Name: 1-(4-chlorophenyl)sulfonyl-4-methyl-2-tridecyl-piperazin-4-ium chloride Formula: C24H42Cl2N2O2S MolecularWeight: 493.57348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1C[NH+](CCN1S(=O)(=O)C2=CC=C(C=C2)Cl)C.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCC1C[NH+](CCN1S(=O)(=O)C2=CC=C(C=C2)Cl)C.[Cl-]

InChI

InChI=1S/C24H41ClN2O2S.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-23-21-26(2)19-20-27(23)30(28,29)24-17-15-22(25)16-18-24;/h15-18,23H,3-14,19-21H2,1-2H3;1H