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

Systemtic Name: 1-(4-chlorophenyl)sulfonyl-2-tridecyl-piperazin-4-ium chloride Openeye Name: 1-(4-chlorophenyl)sulfonyl-2-tridecyl-piperazin-4-ium chloride CAS Name: 1-(4-chlorophenyl)sulfonyl-2-tridecylpiperazin-4-ium chloride IUPAC Name: 1-(4-chlorophenyl)sulfonyl-2-tridecylpiperazin-4-ium chloride Traditional Name: 1-(4-chlorophenyl)sulfonyl-2-tridecyl-piperazin-4-ium chloride Formula: C23H40Cl2N2O2S MolecularWeight: 479.5469

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1C[NH2+]CCN1S(=O)(=O)C2=CC=C(C=C2)Cl.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCC1C[NH2+]CCN1S(=O)(=O)C2=CC=C(C=C2)Cl.[Cl-]

InChI

InChI=1S/C23H39ClN2O2S.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-22-20-25-18-19-26(22)29(27,28)23-16-14-21(24)15-17-23;/h14-17,22,25H,2-13,18-20H2,1H3;1H