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

Systemtic Name: hexyl 3-(4-oxidanyl-2-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)propanoate Openeye Name: hexyl 3-(4-hydroxy-2-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)propanoate CAS Name: 3-(4-hydroxy-2-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)propanoic acid hexyl ester IUPAC Name: hexyl 3-(4-hydroxy-2-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)propanoate Traditional Name: 3-(4-hydroxy-2-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)propionic acid hexyl ester Formula: C17H23N2O4+ MolecularWeight: 319.37552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)CCC1=C([N+]2=CC=CC=C2NC1=O)O

Isomeric SMILES

CCCCCCOC(=O)CCC1=C([N+]2=CC=CC=C2NC1=O)O

InChI

InChI=1S/C17H22N2O4/c1-2-3-4-7-12-23-15(20)10-9-13-16(21)18-14-8-5-6-11-19(14)17(13)22/h5-6,8,11H,2-4,7,9-10,12H2,1H3,(H,21,22)/p+1