(4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-(2-fluorophenyl)sulfonylpropanoate

Systemtic Name: (4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-(2-fluorophenyl)sulfonylpropanoate Openeye Name: (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-(2-fluorophenyl)sulfonylpropanoate CAS Name: 3-(2-fluorophenyl)sulfonylpropanoic 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-(2-fluorophenyl)sulfonylpropanoate Traditional Name: 3-(2-fluorophenyl)sulfonylpropionic acid (4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C18H16FN2O5S+ MolecularWeight: 391.393443

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)F)S(=O)(=O)CCC(=O)OCC2=CC(=O)[N+]3=CC=CC=C3N2

Isomeric SMILES

C1=CC=C(C(=C1)F)S(=O)(=O)CCC(=O)OCC2=CC(=O)[N+]3=CC=CC=C3N2

InChI

InChI=1S/C18H15FN2O5S/c19-14-5-1-2-6-15(14)27(24,25)10-8-18(23)26-12-13-11-17(22)21-9-4-3-7-16(21)20-13/h1-7,9,11H,8,10,12H2/p+1