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

Systemtic Name: (7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-(4-ethylphenoxy)ethanoate Openeye Name: (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-(4-ethylphenoxy)acetate CAS Name: 2-(4-ethylphenoxy)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-ethylphenoxy)acetate Traditional Name: 2-(4-ethylphenoxy)acetic 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:

CCC1=CC=C(C=C1)OCC(=O)OCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(=O)OCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br

InChI

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