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

Systemtic Name: (7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-(4-ethoxyphenyl)ethanoate Openeye Name: (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-(4-ethoxyphenyl)acetate CAS Name: 2-(4-ethoxyphenyl)acetic 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 2-(4-ethoxyphenyl)acetate Traditional Name: 2-p-phenetylacetic acid (7-bromo-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C19H18BrN2O4+ MolecularWeight: 418.26122

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC(=O)OCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(=O)OCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br

InChI

InChI=1S/C19H17BrN2O4/c1-2-25-16-6-3-13(4-7-16)9-19(24)26-12-15-10-18(23)22-11-14(20)5-8-17(22)21-15/h3-8,10-11H,2,9,12H2,1H3/p+1