(9-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 5-bromanyl-2-oxidanyl-benzoate

Systemtic Name: (9-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 5-bromanyl-2-oxidanyl-benzoate Openeye Name: (9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 5-bromo-2-hydroxy-benzoate CAS Name: 5-bromo-2-hydroxybenzoic acid (9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 5-bromo-2-hydroxybenzoate Traditional Name: 5-bromo-2-hydroxy-benzoic acid (4-keto-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C17H14BrN2O4+ MolecularWeight: 390.20806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2NC(=CC(=O)[N+]2=CC=C1)COC(=O)C3=C(C=CC(=C3)Br)O

Isomeric SMILES

CC1=C2NC(=CC(=O)[N+]2=CC=C1)COC(=O)C3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C17H13BrN2O4/c1-10-3-2-6-20-15(22)8-12(19-16(10)20)9-24-17(23)13-7-11(18)4-5-14(13)21/h2-8H,9H2,1H3,(H,21,23)/p+1