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

Systemtic Name: 3-[3-(trifluoromethyl)phenyl]-5-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 3-[3-(trifluoromethyl)phenyl]-5-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 3-[3-(trifluoromethyl)phenyl]-5-[[4-[4-(trifluoromethyl)-2-pyrimidinyl]-1-piperazin-1-iumyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-[3-(trifluoromethyl)phenyl]-5-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Traditional Name: 3-[3-(trifluoromethyl)phenyl]-5-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Formula: C19H17F6N6O+ MolecularWeight: 459.368299

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CC(=CC=C3)C(F)(F)F)C4=NC=CC(=N4)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CC(=CC=C3)C(F)(F)F)C4=NC=CC(=N4)C(F)(F)F

InChI

InChI=1S/C19H16F6N6O/c20-18(21,22)13-3-1-2-12(10-13)16-28-15(32-29-16)11-30-6-8-31(9-7-30)17-26-5-4-14(27-17)19(23,24)25/h1-5,10H,6-9,11H2/p+1