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

Systemtic Name: 3-(1-benzofuran-2-ylcarbonyl)-2-(3-bromophenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: 3-(benzofuran-2-carbonyl)-2-(3-bromophenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2H-pyrrol-4-olate CAS Name: 3-[2-benzofuranyl(oxo)methyl]-2-(3-bromophenyl)-1-[3-(4-morpholin-4-iumyl)propyl]-5-oxo-2H-pyrrol-4-olate IUPAC Name: 3-(1-benzofuran-2-carbonyl)-2-(3-bromophenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: 4-(benzofuran-2-carbonyl)-5-(3-bromophenyl)-2-keto-1-(3-morpholin-4-ium-4-ylpropyl)-3-pyrrolin-3-olate Formula: C26H25BrN2O5 MolecularWeight: 525.3911

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C26H25BrN2O5/c27-19-7-3-6-18(15-19)23-22(24(30)21-16-17-5-1-2-8-20(17)34-21)25(31)26(32)29(23)10-4-9-28-11-13-33-14-12-28/h1-3,5-8,15-16,23,31H,4,9-14H2