2-thiophen-2-yl-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]-1,3-oxazole

Systemtic Name: 2-thiophen-2-yl-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]-1,3-oxazole Openeye Name: 2-(2-thienyl)-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]oxazole CAS Name: 2-thiophen-2-yl-4-[[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]methyl]oxazole IUPAC Name: 2-thiophen-2-yl-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]-1,3-oxazole Traditional Name: 2-(2-thienyl)-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]oxazole Formula: C19H19F3N3OS+ MolecularWeight: 394.43387

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=COC(=N2)C3=CC=CS3)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=COC(=N2)C3=CC=CS3)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C19H18F3N3OS/c20-19(21,22)14-3-1-4-16(11-14)25-8-6-24(7-9-25)12-15-13-26-18(23-15)17-5-2-10-27-17/h1-5,10-11,13H,6-9,12H2/p+1