1-[(2-methylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(2-methylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-ium Openeye Name: 1-(o-tolylmethyl)-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-ium CAS Name: 1-[(2-methylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium IUPAC Name: 1-[(2-methylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium Traditional Name: 1-(2-methylbenzyl)-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-ium Formula: C19H22F3N2O2S+ MolecularWeight: 399.45039

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

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