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

Systemtic Name: 4-(1-benzofuran-2-ylcarbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-pyridin-1-ium-3-yl-pyrrolidine-2,3-dione Openeye Name: 4-(benzofuran-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-pyridin-1-ium-3-yl-pyrrolidine-2,3-dione CAS Name: 4-[2-benzofuranyl(oxo)methyl]-1-[3-(4-morpholin-4-iumyl)propyl]-5-(3-pyridin-1-iumyl)pyrrolidine-2,3-dione IUPAC Name: 4-(1-benzofuran-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-pyridin-1-ium-3-ylpyrrolidine-2,3-dione Traditional Name: 4-(benzofuran-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-pyridin-1-ium-3-yl-pyrrolidine-2,3-quinone Formula: C25H27N3O5+2 MolecularWeight: 449.49898

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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=C[NH+]=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O5/c29-23(20-15-17-5-1-2-7-19(17)33-20)21-22(18-6-3-8-26-16-18)28(25(31)24(21)30)10-4-9-27-11-13-32-14-12-27/h1-3,5-8,15-16,21-22H,4,9-14H2/p+2