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

Systemtic Name: (7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 5-(hydroxymethyl)-2-methyl-furan-3-carboxylate Openeye Name: (7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 5-(hydroxymethyl)-2-methyl-furan-3-carboxylate CAS Name: 5-(hydroxymethyl)-2-methyl-3-furancarboxylic 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 5-(hydroxymethyl)-2-methylfuran-3-carboxylate Traditional Name: 2-methyl-5-methylol-furan-3-carboxylic acid (4-keto-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C17H17N2O5+ MolecularWeight: 329.32728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O5/c1-10-3-4-15-18-12(5-16(21)19(15)7-10)9-23-17(22)14-6-13(8-20)24-11(14)2/h3-7,20H,8-9H2,1-2H3/p+1