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

Systemtic Name: 1-(phenylsulfonyl)-4-[3-(trifluoromethyl)phenyl]piperazin-4-ium chloride Openeye Name: 1-(benzenesulfonyl)-4-[3-(trifluoromethyl)phenyl]piperazin-4-ium chloride CAS Name: 1-(benzenesulfonyl)-4-[3-(trifluoromethyl)phenyl]piperazin-4-ium chloride IUPAC Name: 1-(benzenesulfonyl)-4-[3-(trifluoromethyl)phenyl]piperazin-4-ium chloride Traditional Name: 1-besyl-4-[3-(trifluoromethyl)phenyl]piperazin-4-ium chloride Formula: C17H18ClF3N2O2S MolecularWeight: 406.85023

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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=CC=C3.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C17H17F3N2O2S.ClH/c18-17(19,20)14-5-4-6-15(13-14)21-9-11-22(12-10-21)25(23,24)16-7-2-1-3-8-16;/h1-8,13H,9-12H2;1H