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

Systemtic Name: (7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl (E)-3-phenylprop-2-enoate Openeye Name: (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl (E)-3-phenylprop-2-enoate CAS Name: (E)-3-phenyl-2-propenoic 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 (E)-3-phenylprop-2-enoate Traditional Name: (E)-3-phenylacrylic acid (7-bromo-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C18H14BrN2O3+ MolecularWeight: 386.21936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13BrN2O3/c19-14-7-8-16-20-15(10-17(22)21(16)11-14)12-24-18(23)9-6-13-4-2-1-3-5-13/h1-11H,12H2/p+1/b9-6+