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

Systemtic Name: (6-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-bromanyl-1H-pyrrole-2-carboxylate Openeye Name: (6-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-bromo-1H-pyrrole-2-carboxylate CAS Name: 4-bromo-1H-pyrrole-2-carboxylic acid (6-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (6-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-bromo-1H-pyrrole-2-carboxylate Traditional Name: 4-bromo-1H-pyrrole-2-carboxylic acid (4-keto-6-methyl-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:

CC1=[N+]2C(=CC=C1)NC(=CC2=O)COC(=O)C3=CC(=CN3)Br

Isomeric SMILES

CC1=[N+]2C(=CC=C1)NC(=CC2=O)COC(=O)C3=CC(=CN3)Br

InChI

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