1-(2,5-dimethylphenyl)sulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium

Systemtic Name: 1-(2,5-dimethylphenyl)sulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium Openeye Name: 1-(2,5-dimethylphenyl)sulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium CAS Name: 1-(2,5-dimethylphenyl)sulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium IUPAC Name: 1-(2,5-dimethylphenyl)sulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium Traditional Name: 1-(2,5-dimethylphenyl)sulfonyl-4-[3-(trifluoromethyl)benzyl]piperazin-4-ium Formula: C20H24F3N2O2S+ MolecularWeight: 413.47697

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C20H23F3N2O2S/c1-15-6-7-16(2)19(12-15)28(26,27)25-10-8-24(9-11-25)14-17-4-3-5-18(13-17)20(21,22)23/h3-7,12-13H,8-11,14H2,1-2H3/p+1