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

Systemtic Name: (4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-sulfamoylbenzoate Openeye Name: (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-sulfamoylbenzoate CAS Name: 4-sulfamoylbenzoic 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-sulfamoylbenzoate Traditional Name: 4-sulfamoylbenzoic acid (4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C16H14N3O5S+ MolecularWeight: 360.36446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+]2C(=C1)NC(=CC2=O)COC(=O)C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1=CC=[N+]2C(=C1)NC(=CC2=O)COC(=O)C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C16H13N3O5S/c17-25(22,23)13-6-4-11(5-7-13)16(21)24-10-12-9-15(20)19-8-2-1-3-14(19)18-12/h1-9H,10H2,(H2,17,22,23)/p+1