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

Systemtic Name: 1-(phenylsulfonyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium Openeye Name: 1-(benzenesulfonyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium CAS Name: 1-(benzenesulfonyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium IUPAC Name: 1-(benzenesulfonyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium Traditional Name: 1-besyl-4-[3-(trifluoromethyl)benzyl]piperazin-4-ium Formula: C18H20F3N2O2S+ MolecularWeight: 385.42381

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)C(F)(F)F)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)C(F)(F)F)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H19F3N2O2S/c19-18(20,21)16-6-4-5-15(13-16)14-22-9-11-23(12-10-22)26(24,25)17-7-2-1-3-8-17/h1-8,13H,9-12,14H2/p+1