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

Systemtic Name: 3-(1-benzofuran-2-ylcarbonyl)-2-(4-fluorophenyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: 3-(benzofuran-2-carbonyl)-2-(4-fluorophenyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2H-pyrrol-4-olate CAS Name: 3-[2-benzofuranyl(oxo)methyl]-2-(4-fluorophenyl)-1-[2-(4-morpholin-4-iumyl)ethyl]-5-oxo-2H-pyrrol-4-olate IUPAC Name: 3-(1-benzofuran-2-carbonyl)-2-(4-fluorophenyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: 4-(benzofuran-2-carbonyl)-5-(4-fluorophenyl)-2-keto-1-(2-morpholin-4-ium-4-ylethyl)-3-pyrrolin-3-olate Formula: C25H23FN2O5 MolecularWeight: 450.458923

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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=C(C=C5)F

Isomeric SMILES

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

InChI

InChI=1S/C25H23FN2O5/c26-18-7-5-16(6-8-18)22-21(23(29)20-15-17-3-1-2-4-19(17)33-20)24(30)25(31)28(22)10-9-27-11-13-32-14-12-27/h1-8,15,22,30H,9-14H2