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

Systemtic Name: 1-(phenylsulfonyl)-4-[3-(trifluoromethyl)phenyl]piperazin-4-ium Openeye Name: 1-(benzenesulfonyl)-4-[3-(trifluoromethyl)phenyl]piperazin-4-ium CAS Name: 1-(benzenesulfonyl)-4-[3-(trifluoromethyl)phenyl]piperazin-4-ium IUPAC Name: 1-(benzenesulfonyl)-4-[3-(trifluoromethyl)phenyl]piperazin-4-ium Traditional Name: 1-besyl-4-[3-(trifluoromethyl)phenyl]piperazin-4-ium Formula: C17H18F3N2O2S+ MolecularWeight: 371.39723

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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

Isomeric SMILES

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

InChI

InChI=1S/C17H17F3N2O2S/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/p+1