3-(1-benzofuran-2-ylcarbonyl)-5-oxidanylidene-1-(pyridin-1-ium-3-ylmethyl)-2-pyridin-3-yl-2H-pyrrol-4-olate

Systemtic Name: 3-(1-benzofuran-2-ylcarbonyl)-5-oxidanylidene-1-(pyridin-1-ium-3-ylmethyl)-2-pyridin-3-yl-2H-pyrrol-4-olate Openeye Name: 3-(benzofuran-2-carbonyl)-5-oxo-1-(pyridin-1-ium-3-ylmethyl)-2-(3-pyridyl)-2H-pyrrol-4-olate CAS Name: 3-[2-benzofuranyl(oxo)methyl]-5-oxo-1-(3-pyridin-1-iumylmethyl)-2-(3-pyridinyl)-2H-pyrrol-4-olate IUPAC Name: 3-(1-benzofuran-2-carbonyl)-5-oxo-1-(pyridin-1-ium-3-ylmethyl)-2-pyridin-3-yl-2H-pyrrol-4-olate Traditional Name: 4-(benzofuran-2-carbonyl)-2-keto-1-(pyridin-1-ium-3-ylmethyl)-5-(3-pyridyl)-3-pyrrolin-3-olate Formula: C24H17N3O4 MolecularWeight: 411.40948

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(O2)C(=O)C3=C(C(=O)N(C3C4=CN=CC=C4)CC5=C[NH+]=CC=C5)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=C(O2)C(=O)C3=C(C(=O)N(C3C4=CN=CC=C4)CC5=C[NH+]=CC=C5)[O-]

InChI

InChI=1S/C24H17N3O4/c28-22(19-11-16-6-1-2-8-18(16)31-19)20-21(17-7-4-10-26-13-17)27(24(30)23(20)29)14-15-5-3-9-25-12-15/h1-13,21,29H,14H2