5-methyl-2-phenyl-7-pyridin-1-ium-2-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-2-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-2-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-(2-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-2-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-2-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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C([N+]2=C(N1)N=C(N2)C3=CC=CC=C3)C4=CC=CC=[NH+]4)C(=O)NC5=CN=CC=C5

Isomeric SMILES

CC1=C(C([N+]2=C(N1)N=C(N2)C3=CC=CC=C3)C4=CC=CC=[NH+]4)C(=O)NC5=CN=CC=C5

InChI

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