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

Systemtic Name: (7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-methylpropanoate Openeye Name: (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-methylpropanoate CAS Name: 2-methylpropanoic 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-methylpropanoate Traditional Name: 2-methylpropionic acid (7-bromo-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C13H14BrN2O3+ MolecularWeight: 326.16586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OCC1=CC(=O)[N+]2=C(N1)C=CC(=C2)Br

Isomeric SMILES

CC(C)C(=O)OCC1=CC(=O)[N+]2=C(N1)C=CC(=C2)Br

InChI

InChI=1S/C13H13BrN2O3/c1-8(2)13(18)19-7-10-5-12(17)16-6-9(14)3-4-11(16)15-10/h3-6,8H,7H2,1-2H3/p+1