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

Systemtic Name: (8-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-(trifluoromethyl)benzoate Openeye Name: (8-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-(trifluoromethyl)benzoate CAS Name: 3-(trifluoromethyl)benzoic 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 3-(trifluoromethyl)benzoate Traditional Name: 3-(trifluoromethyl)benzoic acid (4-keto-8-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C18H14F3N2O3+ MolecularWeight: 363.31057

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13F3N2O3/c1-11-5-6-23-15(7-11)22-14(9-16(23)24)10-26-17(25)12-3-2-4-13(8-12)18(19,20)21/h2-9H,10H2,1H3/p+1