1-(4-methylphenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazin-4-ium chloride

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazin-4-ium chloride Openeye Name: 1-(p-tolylsulfonyl)-4-[3-(trifluoromethyl)phenyl]piperazin-4-ium chloride CAS Name: 1-(4-methylphenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazin-4-ium chloride IUPAC Name: 1-(4-methylphenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazin-4-ium chloride Traditional Name: 1-tosyl-4-[3-(trifluoromethyl)phenyl]piperazin-4-ium chloride Formula: C18H20ClF3N2O2S MolecularWeight: 420.87681

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C3=CC=CC(=C3)C(F)(F)F.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C3=CC=CC(=C3)C(F)(F)F.[Cl-]

InChI

InChI=1S/C18H19F3N2O2S.ClH/c1-14-5-7-17(8-6-14)26(24,25)23-11-9-22(10-12-23)16-4-2-3-15(13-16)18(19,20)21;/h2-8,13H,9-12H2,1H3;1H