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

Systemtic Name: (7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl (1S,2R)-2-methylcyclopropane-1-carboxylate Openeye Name: (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl (1S,2R)-2-methylcyclopropanecarboxylate CAS Name: (1S,2R)-2-methyl-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 (1S,2R)-2-methylcyclopropane-1-carboxylate Traditional Name: (1S,2R)-2-methylcyclopropanecarboxylic acid (7-bromo-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C14H14BrN2O3+ MolecularWeight: 338.17656

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC1C(=O)OCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br

Isomeric SMILES

C[C@@H]1C[C@@H]1C(=O)OCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br

InChI

InChI=1S/C14H13BrN2O3/c1-8-4-11(8)14(19)20-7-10-5-13(18)17-6-9(15)2-3-12(17)16-10/h2-3,5-6,8,11H,4,7H2,1H3/p+1/t8-,11+/m1/s1