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

Systemtic Name: (7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 1-phenylcyclopropane-1-carboxylate Openeye Name: (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 1-phenylcyclopropanecarboxylate CAS Name: 1-phenyl-1-cyclopropanecarboxylic 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 1-phenylcyclopropane-1-carboxylate Traditional Name: 1-phenylcyclopropanecarboxylic acid (7-bromo-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C19H16BrN2O3+ MolecularWeight: 400.24594

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1(C2=CC=CC=C2)C(=O)OCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Br

Isomeric SMILES

C1CC1(C2=CC=CC=C2)C(=O)OCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Br

InChI

InChI=1S/C19H15BrN2O3/c20-14-6-7-16-21-15(10-17(23)22(16)11-14)12-25-18(24)19(8-9-19)13-4-2-1-3-5-13/h1-7,10-11H,8-9,12H2/p+1