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

Systemtic Name: (7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic 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 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid (7-bromo-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C23H15BrN3O3S+ MolecularWeight: 493.3525

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)OCC4=CC(=O)[N+]5=C(N4)C=CC(=C5)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)OCC4=CC(=O)[N+]5=C(N4)C=CC(=C5)Br

InChI

InChI=1S/C23H14BrN3O3S/c24-14-7-8-21-25-15(10-22(28)27(21)12-14)13-30-23(29)17-11-19(20-6-3-9-31-20)26-18-5-2-1-4-16(17)18/h1-12H,13H2/p+1