1-[(1R)-1-phenylethyl]-4-[2-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(1R)-1-phenylethyl]-4-[2-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-ium Openeye Name: 1-[(1R)-1-phenylethyl]-4-[2-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-ium CAS Name: 1-[(1R)-1-phenylethyl]-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium IUPAC Name: 1-[(1R)-1-phenylethyl]-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium Traditional Name: 1-[(1R)-1-phenylethyl]-4-[2-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-ium Formula: C19H22F3N2O2S+ MolecularWeight: 399.45039

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C[C@H](C1=CC=CC=C1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C19H21F3N2O2S/c1-15(16-7-3-2-4-8-16)23-11-13-24(14-12-23)27(25,26)18-10-6-5-9-17(18)19(20,21)22/h2-10,15H,11-14H2,1H3/p+1/t15-/m1/s1