1-phenethyl-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-ium

Systemtic Name: 1-phenethyl-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-ium Openeye Name: 1-phenethyl-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-ium CAS Name: 1-phenethyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium IUPAC Name: 1-phenethyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium Traditional Name: 1-phenethyl-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:

C1CN(CC[NH+]1CCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C19H21F3N2O2S/c20-19(21,22)17-7-4-8-18(15-17)27(25,26)24-13-11-23(12-14-24)10-9-16-5-2-1-3-6-16/h1-8,15H,9-14H2/p+1