propan-2-yl 5-methyl-7-pyridin-1-ium-3-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Systemtic Name: propan-2-yl 5-methyl-7-pyridin-1-ium-3-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: isopropyl 5-methyl-7-pyridin-1-ium-3-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 5-methyl-7-(3-pyridin-1-iumyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-methyl-7-pyridin-1-ium-3-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 5-methyl-7-pyridin-1-ium-3-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid isopropyl ester Formula: C15H18N5O2+ MolecularWeight: 300.33572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N2C(=N1)N=CN2)C3=C[NH+]=CC=C3)C(=O)OC(C)C

Isomeric SMILES

CC1=C(C(N2C(=N1)N=CN2)C3=C[NH+]=CC=C3)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)11-5-4-6-16-7-11/h4-9,13H,1-3H3,(H,17,18,19)/p+1