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

Systemtic Name: 1-(4-bromophenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazin-4-ium chloride Openeye Name: 1-(4-bromophenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazin-4-ium chloride CAS Name: 1-(4-bromophenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazin-4-ium chloride IUPAC Name: 1-(4-bromophenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazin-4-ium chloride Traditional Name: 1-brosyl-4-[3-(trifluoromethyl)phenyl]piperazin-4-ium chloride Formula: C17H17BrClF3N2O2S MolecularWeight: 485.74629

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2=CC=CC(=C2)C(F)(F)F)S(=O)(=O)C3=CC=C(C=C3)Br.[Cl-]

Isomeric SMILES

C1CN(CC[NH+]1C2=CC=CC(=C2)C(F)(F)F)S(=O)(=O)C3=CC=C(C=C3)Br.[Cl-]

InChI

InChI=1S/C17H16BrF3N2O2S.ClH/c18-14-4-6-16(7-5-14)26(24,25)23-10-8-22(9-11-23)15-3-1-2-13(12-15)17(19,20)21;/h1-7,12H,8-11H2;1H