(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2H-chromene-3-carboxylate

Systemtic Name: (7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2H-chromene-3-carboxylate Openeye Name: (7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2H-chromene-3-carboxylate CAS Name: 2H-1-benzopyran-3-carboxylic acid (7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2H-chromene-3-carboxylate Traditional Name: 2H-chromene-3-carboxylic acid (4-keto-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C20H17N2O4+ MolecularWeight: 349.35998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)COC(=O)C3=CC4=CC=CC=C4OC3

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)COC(=O)C3=CC4=CC=CC=C4OC3

InChI

InChI=1S/C20H16N2O4/c1-13-6-7-18-21-16(9-19(23)22(18)10-13)12-26-20(24)15-8-14-4-2-3-5-17(14)25-11-15/h2-10H,11-12H2,1H3/p+1