(4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-(4-methoxyphenoxy)butanoate

Systemtic Name: (4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-(4-methoxyphenoxy)butanoate Openeye Name: (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-(4-methoxyphenoxy)butanoate CAS Name: 4-(4-methoxyphenoxy)butanoic acid (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-(4-methoxyphenoxy)butanoate Traditional Name: 4-(4-methoxyphenoxy)butyric acid (4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C20H21N2O5+ MolecularWeight: 369.39114

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCCCC(=O)OCC2=CC(=O)[N+]3=CC=CC=C3N2

Isomeric SMILES

COC1=CC=C(C=C1)OCCCC(=O)OCC2=CC(=O)[N+]3=CC=CC=C3N2

InChI

InChI=1S/C20H20N2O5/c1-25-16-7-9-17(10-8-16)26-12-4-6-20(24)27-14-15-13-19(23)22-11-3-2-5-18(22)21-15/h2-3,5,7-11,13H,4,6,12,14H2,1H3/p+1