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

Systemtic Name: ethyl 5-methyl-7-pyridin-1-ium-3-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C14H16N5O2+ MolecularWeight: 286.30914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2N=CNN2C1C3=C[NH+]=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N=C2N=CNN2C1C3=C[NH+]=CC=C3)C

InChI

InChI=1S/C14H15N5O2/c1-3-21-13(20)11-9(2)18-14-16-8-17-19(14)12(11)10-5-4-6-15-7-10/h4-8,12H,3H2,1-2H3,(H,16,17,18)/p+1