4-(1-benzofuran-2-ylcarbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-thiophen-2-yl-pyrrolidine-2,3-dione

Systemtic Name: 4-(1-benzofuran-2-ylcarbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-thiophen-2-yl-pyrrolidine-2,3-dione Openeye Name: 4-(benzofuran-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-(2-thienyl)pyrrolidine-2,3-dione CAS Name: 4-[2-benzofuranyl(oxo)methyl]-1-[3-(4-morpholin-4-iumyl)propyl]-5-thiophen-2-ylpyrrolidine-2,3-dione IUPAC Name: 4-(1-benzofuran-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-thiophen-2-ylpyrrolidine-2,3-dione Traditional Name: 4-(benzofuran-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-(2-thienyl)pyrrolidine-2,3-quinone Formula: C24H25N2O5S+ MolecularWeight: 453.5307

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCN2C(C(C(=O)C2=O)C(=O)C3=CC4=CC=CC=C4O3)C5=CC=CS5

Isomeric SMILES

C1COCC[NH+]1CCCN2C(C(C(=O)C2=O)C(=O)C3=CC4=CC=CC=C4O3)C5=CC=CS5

InChI

InChI=1S/C24H24N2O5S/c27-22(18-15-16-5-1-2-6-17(16)31-18)20-21(19-7-3-14-32-19)26(24(29)23(20)28)9-4-8-25-10-12-30-13-11-25/h1-3,5-7,14-15,20-21H,4,8-13H2/p+1