5-methyl-2-phenyl-7-pyridin-1-ium-3-yl-N-pyridin-3-yl-4,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-6-carboxamide

Systemtic Name: 5-methyl-2-phenyl-7-pyridin-1-ium-3-yl-N-pyridin-3-yl-4,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-6-carboxamide Openeye Name: 5-methyl-2-phenyl-7-pyridin-1-ium-3-yl-N-(3-pyridyl)-4,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-6-carboxamide CAS Name: 5-methyl-2-phenyl-7-(3-pyridin-1-iumyl)-N-(3-pyridinyl)-4,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-6-carboxamide IUPAC Name: 5-methyl-2-phenyl-7-pyridin-1-ium-3-yl-N-pyridin-3-yl-4,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-6-carboxamide Traditional Name: 5-methyl-2-phenyl-7-pyridin-1-ium-3-yl-N-(3-pyridyl)-4,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-6-carboxamide Formula: C23H21N7O+2 MolecularWeight: 411.45914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C([N+]2=C(N1)N=C(N2)C3=CC=CC=C3)C4=C[NH+]=CC=C4)C(=O)NC5=CN=CC=C5

Isomeric SMILES

CC1=C(C([N+]2=C(N1)N=C(N2)C3=CC=CC=C3)C4=C[NH+]=CC=C4)C(=O)NC5=CN=CC=C5

InChI

InChI=1S/C23H19N7O/c1-15-19(22(31)27-18-10-6-12-25-14-18)20(17-9-5-11-24-13-17)30-23(26-15)28-21(29-30)16-7-3-2-4-8-16/h2-14,20H,1H3,(H2,26,27,28,29,31)/p+2