5-methyl-7-phenyl-4,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-6-carboxylic acid

Systemtic Name: 5-methyl-7-phenyl-4,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-6-carboxylic acid Openeye Name: 5-methyl-7-phenyl-4,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-6-carboxylic acid CAS Name: 5-methyl-7-phenyl-4,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-6-carboxylic acid IUPAC Name: 5-methyl-7-phenyl-4,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-6-carboxylic acid Traditional Name: 5-methyl-7-phenyl-4,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-6-carboxylic acid Formula: C13H13N4O2+ MolecularWeight: 257.26792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C([N+]2=C(N1)N=CN2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(C([N+]2=C(N1)N=CN2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C13H12N4O2/c1-8-10(12(18)19)11(9-5-3-2-4-6-9)17-13(16-8)14-7-15-17/h2-7,11H,1H3,(H2,14,15,16,18,19)/p+1