3-(1-benzofuran-2-ylcarbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxidanylidene-2-phenyl-2H-pyrrol-4-olate

Systemtic Name: 3-(1-benzofuran-2-ylcarbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxidanylidene-2-phenyl-2H-pyrrol-4-olate Openeye Name: 3-(benzofuran-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2-phenyl-2H-pyrrol-4-olate CAS Name: 3-[2-benzofuranyl(oxo)methyl]-1-[3-(4-morpholin-4-iumyl)propyl]-5-oxo-2-phenyl-2H-pyrrol-4-olate IUPAC Name: 3-(1-benzofuran-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2-phenyl-2H-pyrrol-4-olate Traditional Name: 4-(benzofuran-2-carbonyl)-2-keto-1-(3-morpholin-4-ium-4-ylpropyl)-5-phenyl-3-pyrrolin-3-olate Formula: C26H26N2O5 MolecularWeight: 446.49504

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCN2C(C(=C(C2=O)[O-])C(=O)C3=CC4=CC=CC=C4O3)C5=CC=CC=C5

Isomeric SMILES

C1COCC[NH+]1CCCN2C(C(=C(C2=O)[O-])C(=O)C3=CC4=CC=CC=C4O3)C5=CC=CC=C5

InChI

InChI=1S/C26H26N2O5/c29-24(21-17-19-9-4-5-10-20(19)33-21)22-23(18-7-2-1-3-8-18)28(26(31)25(22)30)12-6-11-27-13-15-32-16-14-27/h1-5,7-10,17,23,30H,6,11-16H2