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

Systemtic Name: 1-ethylsulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium Openeye Name: 1-ethylsulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium CAS Name: 1-ethylsulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium IUPAC Name: 1-ethylsulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium Traditional Name: 1-esyl-4-[2-(trifluoromethyl)benzyl]piperazin-4-ium Formula: C14H20F3N2O2S+ MolecularWeight: 337.38101

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19F3N2O2S/c1-2-22(20,21)19-9-7-18(8-10-19)11-12-5-3-4-6-13(12)14(15,16)17/h3-6H,2,7-11H2,1H3/p+1