5-methyl-N,2-diphenyl-7-pyridin-1-ium-3-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

Systemtic Name: 5-methyl-N,2-diphenyl-7-pyridin-1-ium-3-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide Openeye Name: 5-methyl-N,2-diphenyl-7-pyridin-1-ium-3-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide CAS Name: 5-methyl-N,2-diphenyl-7-(3-pyridin-1-iumyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide IUPAC Name: 5-methyl-N,2-diphenyl-7-pyridin-1-ium-3-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide Traditional Name: 5-methyl-N,2-diphenyl-7-pyridin-1-ium-3-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide Formula: C24H21N6O+ MolecularWeight: 409.46314

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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)NC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(N2C(=N1)N=C(N2)C3=CC=CC=C3)C4=C[NH+]=CC=C4)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C24H20N6O/c1-16-20(23(31)27-19-12-6-3-7-13-19)21(18-11-8-14-25-15-18)30-24(26-16)28-22(29-30)17-9-4-2-5-10-17/h2-15,21H,1H3,(H,27,31)(H,26,28,29)/p+1