7-(3,4-dimethoxyphenyl)-5-methylidene-2-phenyl-N-pyridin-1-ium-3-yl-6,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

Systemtic Name: 7-(3,4-dimethoxyphenyl)-5-methylidene-2-phenyl-N-pyridin-1-ium-3-yl-6,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide Openeye Name: 7-(3,4-dimethoxyphenyl)-5-methylene-2-phenyl-N-pyridin-1-ium-3-yl-6,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide CAS Name: 7-(3,4-dimethoxyphenyl)-5-methylene-2-phenyl-N-(3-pyridin-1-iumyl)-6,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide IUPAC Name: 7-(3,4-dimethoxyphenyl)-5-methylidene-2-phenyl-N-pyridin-1-ium-3-yl-6,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide Traditional Name: 7-(3,4-dimethoxyphenyl)-5-methylene-2-phenyl-N-pyridin-1-ium-3-yl-6,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide Formula: C26H25N6O3+ MolecularWeight: 469.5151

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(C(=C)N=C3N2NC(=N3)C4=CC=CC=C4)C(=O)NC5=C[NH+]=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2C(C(=C)N=C3N2NC(=N3)C4=CC=CC=C4)C(=O)NC5=C[NH+]=CC=C5)OC

InChI

InChI=1S/C26H24N6O3/c1-16-22(25(33)29-19-10-7-13-27-15-19)23(18-11-12-20(34-2)21(14-18)35-3)32-26(28-16)30-24(31-32)17-8-5-4-6-9-17/h4-15,22-23H,1H2,2-3H3,(H,29,33)(H,28,30,31)/p+1