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

Systemtic Name: (8-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-phenoxypyridine-3-carboxylate Openeye Name: (8-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-phenoxypyridine-3-carboxylate CAS Name: 2-phenoxy-3-pyridinecarboxylic acid (8-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (8-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-phenoxypyridine-3-carboxylate Traditional Name: 2-phenoxynicotinic acid (4-keto-8-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C22H18N3O4+ MolecularWeight: 388.39602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=[N+](C=C1)C(=O)C=C(N2)COC(=O)C3=C(N=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=[N+](C=C1)C(=O)C=C(N2)COC(=O)C3=C(N=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C22H17N3O4/c1-15-9-11-25-19(12-15)24-16(13-20(25)26)14-28-22(27)18-8-5-10-23-21(18)29-17-6-3-2-4-7-17/h2-13H,14H2,1H3/p+1