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

Systemtic Name: 3-methylbutyl 3-(4-oxidanyl-2-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)propanoate Openeye Name: isopentyl 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 3-methylbutyl ester IUPAC Name: 3-methylbutyl 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 isoamyl ester Formula: C16H21N2O4+ MolecularWeight: 305.34894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O4/c1-11(2)8-10-22-14(19)7-6-12-15(20)17-13-5-3-4-9-18(13)16(12)21/h3-5,9,11H,6-8,10H2,1-2H3,(H,20,21)/p+1