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

Systemtic Name: (4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-(methylsulfonylmethyl)benzoate Openeye Name: (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-(methylsulfonylmethyl)benzoate CAS Name: 4-(methylsulfonylmethyl)benzoic 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 4-(methylsulfonylmethyl)benzoate Traditional Name: 4-(mesylmethyl)benzoic acid (4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C18H17N2O5S+ MolecularWeight: 373.40298

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=CC=C(C=C1)C(=O)OCC2=CC(=O)[N+]3=CC=CC=C3N2

Isomeric SMILES

CS(=O)(=O)CC1=CC=C(C=C1)C(=O)OCC2=CC(=O)[N+]3=CC=CC=C3N2

InChI

InChI=1S/C18H16N2O5S/c1-26(23,24)12-13-5-7-14(8-6-13)18(22)25-11-15-10-17(21)20-9-3-2-4-16(20)19-15/h2-10H,11-12H2,1H3/p+1