(4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-methyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: (4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-methyl-2-phenyl-quinoline-4-carboxylate Openeye Name: (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-methyl-2-phenyl-quinoline-4-carboxylate CAS Name: 3-methyl-2-phenyl-4-quinolinecarboxylic acid (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-methyl-2-phenylquinoline-4-carboxylate Traditional Name: 3-methyl-2-phenyl-cinchoninic acid (4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C26H20N3O3+ MolecularWeight: 422.4553

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)OCC4=CC(=O)[N+]5=CC=CC=C5N4

Isomeric SMILES

CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)OCC4=CC(=O)[N+]5=CC=CC=C5N4

InChI

InChI=1S/C26H19N3O3/c1-17-24(20-11-5-6-12-21(20)28-25(17)18-9-3-2-4-10-18)26(31)32-16-19-15-23(30)29-14-8-7-13-22(29)27-19/h2-15H,16H2,1H3/p+1