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

Systemtic Name: (7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-(hydroxymethyl)benzoate Openeye Name: (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-(hydroxymethyl)benzoate CAS Name: 4-(hydroxymethyl)benzoic 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 4-(hydroxymethyl)benzoate Traditional Name: 4-methylolbenzoic acid (7-bromo-4-keto-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:

C1=CC(=CC=C1CO)C(=O)OCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br

Isomeric SMILES

C1=CC(=CC=C1CO)C(=O)OCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br

InChI

InChI=1S/C17H13BrN2O4/c18-13-5-6-15-19-14(7-16(22)20(15)8-13)10-24-17(23)12-3-1-11(9-21)2-4-12/h1-8,21H,9-10H2/p+1