(4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 1H-indazole-6-carboxylate

Systemtic Name: (4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 1H-indazole-6-carboxylate Openeye Name: (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 1H-indazole-6-carboxylate CAS Name: 1H-indazole-6-carboxylic acid (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 1H-indazole-6-carboxylate Traditional Name: 1H-indazole-6-carboxylic acid (4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C17H13N4O3+ MolecularWeight: 321.31012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+]2C(=C1)NC(=CC2=O)COC(=O)C3=CC4=C(C=C3)C=NN4

Isomeric SMILES

C1=CC=[N+]2C(=C1)NC(=CC2=O)COC(=O)C3=CC4=C(C=C3)C=NN4

InChI

InChI=1S/C17H12N4O3/c22-16-8-13(19-15-3-1-2-6-21(15)16)10-24-17(23)11-4-5-12-9-18-20-14(12)7-11/h1-9H,10H2,(H,18,20,23)/p+1