diethyl 5-[(4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methoxy]benzene-1,3-dicarboxylate

Systemtic Name: diethyl 5-[(4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methoxy]benzene-1,3-dicarboxylate Openeye Name: diethyl 5-[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methoxy]benzene-1,3-dicarboxylate CAS Name: 5-[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methoxy]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methoxy]benzene-1,3-dicarboxylate Traditional Name: 5-[(4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methoxy]benzene-1,3-dicarboxylic acid diethyl ester Formula: C21H21N2O6+ MolecularWeight: 397.40124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)OCC2=CC(=O)[N+]3=CC=CC=C3N2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)OCC2=CC(=O)[N+]3=CC=CC=C3N2)C(=O)OCC

InChI

InChI=1S/C21H20N2O6/c1-3-27-20(25)14-9-15(21(26)28-4-2)11-17(10-14)29-13-16-12-19(24)23-8-6-5-7-18(23)22-16/h5-12H,3-4,13H2,1-2H3/p+1