(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 6-(trifluoromethyl)pyridine-3-carboxylate

Systemtic Name: (7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 6-(trifluoromethyl)pyridine-3-carboxylate Openeye Name: (7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 6-(trifluoromethyl)pyridine-3-carboxylate CAS Name: 6-(trifluoromethyl)-3-pyridinecarboxylic acid (7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 6-(trifluoromethyl)pyridine-3-carboxylate Traditional Name: 6-(trifluoromethyl)nicotinic acid (4-keto-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C17H13F3N3O3+ MolecularWeight: 364.29863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)COC(=O)C3=CN=C(C=C3)C(F)(F)F

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)COC(=O)C3=CN=C(C=C3)C(F)(F)F

InChI

InChI=1S/C17H12F3N3O3/c1-10-2-5-14-22-12(6-15(24)23(14)8-10)9-26-16(25)11-3-4-13(21-7-11)17(18,19)20/h2-8H,9H2,1H3/p+1