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

Systemtic Name: 5-phenyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]-1,3-oxazole Openeye Name: 5-phenyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]oxazole CAS Name: 5-phenyl-2-[[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]methyl]oxazole IUPAC Name: 5-phenyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]-1,3-oxazole Traditional Name: 5-phenyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]oxazole Formula: C21H21F3N3O+ MolecularWeight: 388.40615

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC=C(O2)C3=CC=CC=C3)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC=C(O2)C3=CC=CC=C3)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C21H20F3N3O/c22-21(23,24)17-7-4-8-18(13-17)27-11-9-26(10-12-27)15-20-25-14-19(28-20)16-5-2-1-3-6-16/h1-8,13-14H,9-12,15H2/p+1