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

Systemtic Name: methyl 5-methyl-2-phenyl-7-pyridin-1-ium-3-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: methyl 5-methyl-2-phenyl-7-pyridin-1-ium-3-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-phenyl-7-(3-pyridin-1-iumyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-phenyl-7-pyridin-1-ium-3-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 5-methyl-2-phenyl-7-pyridin-1-ium-3-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid methyl ester Formula: C19H18N5O2+ MolecularWeight: 348.37852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N2C(=N1)N=C(N2)C3=CC=CC=C3)C4=C[NH+]=CC=C4)C(=O)OC

Isomeric SMILES

CC1=C(C(N2C(=N1)N=C(N2)C3=CC=CC=C3)C4=C[NH+]=CC=C4)C(=O)OC

InChI

InChI=1S/C19H17N5O2/c1-12-15(18(25)26-2)16(14-9-6-10-20-11-14)24-19(21-12)22-17(23-24)13-7-4-3-5-8-13/h3-11,16H,1-2H3,(H,21,22,23)/p+1