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

Systemtic Name: (7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-phenoxypropanoate Openeye Name: (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-phenoxypropanoate CAS Name: 3-phenoxypropanoic acid (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-phenoxypropanoate Traditional Name: 3-phenoxypropionic acid (7-bromo-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C18H16BrN2O4+ MolecularWeight: 404.23464

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCC(=O)OCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)OCCC(=O)OCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br

InChI

InChI=1S/C18H15BrN2O4/c19-13-6-7-16-20-14(10-17(22)21(16)11-13)12-25-18(23)8-9-24-15-4-2-1-3-5-15/h1-7,10-11H,8-9,12H2/p+1