N-(1,3-benzodioxol-5-yl)-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Formula: C16H12N3O4+ MolecularWeight: 310.28418

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)C3=CNC4=CC=CC=[N+]4C3=O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)C3=CNC4=CC=CC=[N+]4C3=O

InChI

InChI=1S/C16H11N3O4/c20-15(18-10-4-5-12-13(7-10)23-9-22-12)11-8-17-14-3-1-2-6-19(14)16(11)21/h1-8H,9H2,(H,18,20)/p+1