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

Systemtic Name: (7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 1-methylpyrrole-2-carboxylate Openeye Name: (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 1-methylpyrrole-2-carboxylate CAS Name: 1-methyl-2-pyrrolecarboxylic 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-methylpyrrole-2-carboxylate Traditional Name: 1-methylpyrrole-2-carboxylic acid (7-bromo-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C15H13BrN3O3+ MolecularWeight: 363.18602

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)OCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br

Isomeric SMILES

CN1C=CC=C1C(=O)OCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br

InChI

InChI=1S/C15H12BrN3O3/c1-18-6-2-3-12(18)15(21)22-9-11-7-14(20)19-8-10(16)4-5-13(19)17-11/h2-8H,9H2,1H3/p+1