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

Systemtic Name: (6-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2,5-dimethylfuran-3-carboxylate Openeye Name: (6-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2,5-dimethylfuran-3-carboxylate CAS Name: 2,5-dimethyl-3-furancarboxylic acid (6-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (6-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2,5-dimethylfuran-3-carboxylate Traditional Name: 2,5-dimethylfuran-3-carboxylic acid (4-keto-6-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C17H17N2O4+ MolecularWeight: 313.32788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O4/c1-10-5-4-6-15-18-13(8-16(20)19(10)15)9-22-17(21)14-7-11(2)23-12(14)3/h4-8H,9H2,1-3H3/p+1