1-methylsulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium

Systemtic Name: 1-methylsulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium Openeye Name: 1-methylsulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium CAS Name: 1-methylsulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium IUPAC Name: 1-methylsulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium Traditional Name: 1-mesyl-4-[2-(trifluoromethyl)benzyl]piperazin-4-ium Formula: C13H18F3N2O2S+ MolecularWeight: 323.35443

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC[NH+](CC1)CC2=CC=CC=C2C(F)(F)F

Isomeric SMILES

CS(=O)(=O)N1CC[NH+](CC1)CC2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C13H17F3N2O2S/c1-21(19,20)18-8-6-17(7-9-18)10-11-4-2-3-5-12(11)13(14,15)16/h2-5H,6-10H2,1H3/p+1