7-phenyl-2-(trifluoromethyl)-4,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-5-carboxylic acid

Systemtic Name: 7-phenyl-2-(trifluoromethyl)-4,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-5-carboxylic acid Openeye Name: 7-phenyl-2-(trifluoromethyl)-4,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-5-carboxylic acid CAS Name: 7-phenyl-2-(trifluoromethyl)-4,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-5-carboxylic acid IUPAC Name: 7-phenyl-2-(trifluoromethyl)-4,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-5-carboxylic acid Traditional Name: 7-phenyl-2-(trifluoromethyl)-4,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-5-carboxylic acid Formula: C13H10F3N4O2+ MolecularWeight: 311.23931

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C=C(NC3=[N+]2NC(=N3)C(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2C=C(NC3=[N+]2NC(=N3)C(F)(F)F)C(=O)O

InChI

InChI=1S/C13H9F3N4O2/c14-13(15,16)11-18-12-17-8(10(21)22)6-9(20(12)19-11)7-4-2-1-3-5-7/h1-6,9H,(H2,17,18,19,21,22)/p+1