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

Systemtic Name: (4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-methylsulfonylbenzoate Openeye Name: (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic 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-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid (4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C17H15N2O5S+ MolecularWeight: 359.3764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O5S/c1-25(22,23)14-7-5-12(6-8-14)17(21)24-11-13-10-16(20)19-9-3-2-4-15(19)18-13/h2-10H,11H2,1H3/p+1