propan-2-yl 5-methyl-7-pyridin-2-yl-4,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-6-carboxylate

Systemtic Name: propan-2-yl 5-methyl-7-pyridin-2-yl-4,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-6-carboxylate Openeye Name: isopropyl 5-methyl-7-(2-pyridyl)-4,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-6-carboxylate CAS Name: 5-methyl-7-(2-pyridinyl)-4,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-6-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-methyl-7-pyridin-2-yl-4,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-6-carboxylate Traditional Name: 5-methyl-7-(2-pyridyl)-4,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-6-carboxylic acid isopropyl ester Formula: C15H18N5O2+ MolecularWeight: 300.33572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C([N+]2=C(N1)N=CN2)C3=CC=CC=N3)C(=O)OC(C)C

Isomeric SMILES

CC1=C(C([N+]2=C(N1)N=CN2)C3=CC=CC=N3)C(=O)OC(C)C

InChI

InChI=1S/C15H17N5O2/c1-9(2)22-14(21)12-10(3)19-15-17-8-18-20(15)13(12)11-6-4-5-7-16-11/h4-9,13H,1-3H3,(H,17,18,19,21)/p+1