N-[(2R)-4-(4-phenylpiperazin-1-ium-1-yl)butan-2-yl]-4-(trifluoromethylsulfanyl)benzamide

Systemtic Name: N-[(2R)-4-(4-phenylpiperazin-1-ium-1-yl)butan-2-yl]-4-(trifluoromethylsulfanyl)benzamide Openeye Name: N-[(1R)-1-methyl-3-(4-phenylpiperazin-1-ium-1-yl)propyl]-4-(trifluoromethylsulfanyl)benzamide CAS Name: N-[(2R)-4-(4-phenyl-1-piperazin-1-iumyl)butan-2-yl]-4-(trifluoromethylthio)benzamide IUPAC Name: N-[(2R)-4-(4-phenylpiperazin-1-ium-1-yl)butan-2-yl]-4-(trifluoromethylsulfanyl)benzamide Traditional Name: N-[(1R)-1-methyl-3-(4-phenylpiperazin-1-ium-1-yl)propyl]-4-(trifluoromethylthio)benzamide Formula: C22H27F3N3OS+ MolecularWeight: 438.52949

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC[NH+]1CCN(CC1)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)SC(F)(F)F

Isomeric SMILES

C[C@H](CC[NH+]1CCN(CC1)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)SC(F)(F)F

InChI

InChI=1S/C22H26F3N3OS/c1-17(26-21(29)18-7-9-20(10-8-18)30-22(23,24)25)11-12-27-13-15-28(16-14-27)19-5-3-2-4-6-19/h2-10,17H,11-16H2,1H3,(H,26,29)/p+1/t17-/m1/s1