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

Systemtic Name: 3-(1-benzofuran-2-ylcarbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxidanylidene-2-pyridin-2-yl-2H-pyrrol-4-olate Openeye Name: 3-(benzofuran-2-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2-(2-pyridyl)-2H-pyrrol-4-olate CAS Name: 3-[2-benzofuranyl(oxo)methyl]-1-[2-(4-morpholin-4-iumyl)ethyl]-5-oxo-2-(2-pyridinyl)-2H-pyrrol-4-olate IUPAC Name: 3-(1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2-pyridin-2-yl-2H-pyrrol-4-olate Traditional Name: 4-(benzofuran-2-carbonyl)-2-keto-1-(2-morpholin-4-ium-4-ylethyl)-5-(2-pyridyl)-3-pyrrolin-3-olate Formula: C24H23N3O5 MolecularWeight: 433.45652

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCN2C(C(=C(C2=O)[O-])C(=O)C3=CC4=CC=CC=C4O3)C5=CC=CC=N5

Isomeric SMILES

C1COCC[NH+]1CCN2C(C(=C(C2=O)[O-])C(=O)C3=CC4=CC=CC=C4O3)C5=CC=CC=N5

InChI

InChI=1S/C24H23N3O5/c28-22(19-15-16-5-1-2-7-18(16)32-19)20-21(17-6-3-4-8-25-17)27(24(30)23(20)29)10-9-26-11-13-31-14-12-26/h1-8,15,21,29H,9-14H2