(4-cyanophenyl)methyl 4-oxidanylidene-1H-pyrimido[1,2-a]pyrimidin-5-ium-3-carboxylate

Systemtic Name: (4-cyanophenyl)methyl 4-oxidanylidene-1H-pyrimido[1,2-a]pyrimidin-5-ium-3-carboxylate Openeye Name: (4-cyanophenyl)methyl 4-oxo-1H-pyrimido[1,2-a]pyrimidin-5-ium-3-carboxylate CAS Name: 4-oxo-1H-pyrimido[1,2-a]pyrimidin-5-ium-3-carboxylic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 4-oxo-1H-pyrimido[1,2-a]pyrimidin-5-ium-3-carboxylate Traditional Name: 4-keto-1H-pyrimido[1,2-a]pyrimidin-5-ium-3-carboxylic acid (4-cyanobenzyl) ester Formula: C16H11N4O3+ MolecularWeight: 307.28354

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C2NC=C(C(=O)[N+]2=C1)C(=O)OCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CN=C2NC=C(C(=O)[N+]2=C1)C(=O)OCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C16H10N4O3/c17-8-11-2-4-12(5-3-11)10-23-15(22)13-9-19-16-18-6-1-7-20(16)14(13)21/h1-7,9H,10H2/p+1