2-methylpropyl 2-(4-oxidanyl-2-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)ethanoate

Systemtic Name: 2-methylpropyl 2-(4-oxidanyl-2-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)ethanoate Openeye Name: isobutyl 2-(4-hydroxy-2-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)acetate CAS Name: 2-(4-hydroxy-2-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)acetic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-(4-hydroxy-2-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)acetate Traditional Name: 2-(4-hydroxy-2-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)acetic acid isobutyl ester Formula: C14H17N2O4+ MolecularWeight: 277.29578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)CC1=C([N+]2=CC=CC=C2NC1=O)O

Isomeric SMILES

CC(C)COC(=O)CC1=C([N+]2=CC=CC=C2NC1=O)O

InChI

InChI=1S/C14H16N2O4/c1-9(2)8-20-12(17)7-10-13(18)15-11-5-3-4-6-16(11)14(10)19/h3-6,9H,7-8H2,1-2H3,(H,18,19)/p+1