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

Systemtic Name: 5-methylidene-N-phenyl-7-pyridin-1-ium-2-yl-6,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide Openeye Name: 5-methylene-N-phenyl-7-pyridin-1-ium-2-yl-6,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide CAS Name: 5-methylene-N-phenyl-7-(2-pyridin-1-iumyl)-6,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide IUPAC Name: 5-methylidene-N-phenyl-7-pyridin-1-ium-2-yl-6,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide Traditional Name: 5-methylene-N-phenyl-7-pyridin-1-ium-2-yl-6,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide Formula: C18H17N6O+ MolecularWeight: 333.36718

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(N2C(=N1)N=CN2)C3=CC=CC=[NH+]3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C=C1C(C(N2C(=N1)N=CN2)C3=CC=CC=[NH+]3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C18H16N6O/c1-12-15(17(25)23-13-7-3-2-4-8-13)16(14-9-5-6-10-19-14)24-18(22-12)20-11-21-24/h2-11,15-16H,1H2,(H,23,25)(H,20,21,22)/p+1