(7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-oxidanylbenzoate

Systemtic Name: (7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-oxidanylbenzoate Openeye Name: (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-hydroxybenzoate CAS Name: 3-hydroxybenzoic 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 3-hydroxybenzoate Traditional Name: 3-hydroxybenzoic acid (7-bromo-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C16H12BrN2O4+ MolecularWeight: 376.18148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)O)C(=O)OCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br

Isomeric SMILES

C1=CC(=CC(=C1)O)C(=O)OCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br

InChI

InChI=1S/C16H11BrN2O4/c17-11-4-5-14-18-12(7-15(21)19(14)8-11)9-23-16(22)10-2-1-3-13(20)6-10/h1-8,20H,9H2/p+1