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

Systemtic Name: 7-phenyl-4,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-5-carboxylic acid Openeye Name: 7-phenyl-4,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-5-carboxylic acid CAS Name: 7-phenyl-4,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-5-carboxylic acid IUPAC Name: 7-phenyl-4,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-5-carboxylic acid Traditional Name: 7-phenyl-4,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-5-carboxylic acid Formula: C12H11N4O2+ MolecularWeight: 243.24134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N4O2/c17-11(18)9-6-10(8-4-2-1-3-5-8)16-12(15-9)13-7-14-16/h1-7,10H,(H2,13,14,15,17,18)/p+1