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

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium Openeye Name: 1-(p-tolylsulfonyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium CAS Name: 1-(4-methylphenyl)sulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium IUPAC Name: 1-(4-methylphenyl)sulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium Traditional Name: 1-tosyl-4-[2-(trifluoromethyl)benzyl]piperazin-4-ium Formula: C19H22F3N2O2S+ MolecularWeight: 399.45039

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C19H21F3N2O2S/c1-15-6-8-17(9-7-15)27(25,26)24-12-10-23(11-13-24)14-16-4-2-3-5-18(16)19(20,21)22/h2-9H,10-14H2,1H3/p+1