(7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate

Systemtic Name: (7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate Openeye Name: (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl tetralin-6-carboxylate CAS Name: 5,6,7,8-tetrahydronaphthalene-2-carboxylic 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 5,6,7,8-tetrahydronaphthalene-2-carboxylate Traditional Name: tetralin-6-carboxylic acid (7-bromo-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C20H18BrN2O3+ MolecularWeight: 414.27252

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=C2)C(=O)OCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Br

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)C(=O)OCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Br

InChI

InChI=1S/C20H17BrN2O3/c21-16-7-8-18-22-17(10-19(24)23(18)11-16)12-26-20(25)15-6-5-13-3-1-2-4-14(13)9-15/h5-11H,1-4,12H2/p+1