3-(1-benzofuran-2-ylcarbonyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4-oxidanyl-2-pyridin-1-ium-4-yl-2H-pyrrol-5-one

Systemtic Name: 3-(1-benzofuran-2-ylcarbonyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4-oxidanyl-2-pyridin-1-ium-4-yl-2H-pyrrol-5-one Openeye Name: 3-(benzofuran-2-carbonyl)-4-hydroxy-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-pyridin-1-ium-4-yl-2H-pyrrol-5-one CAS Name: 3-[2-benzofuranyl(oxo)methyl]-4-hydroxy-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-(4-pyridin-1-iumyl)-2H-pyrrol-5-one IUPAC Name: 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-pyridin-1-ium-4-yl-2H-pyrrol-5-one Traditional Name: 4-(benzofuran-2-carbonyl)-3-hydroxy-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-pyridin-1-ium-4-yl-3-pyrrolin-2-one Formula: C24H22N4O4+2 MolecularWeight: 430.45588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(O2)C(=O)C3=C(C(=O)N(C3C4=CC=[NH+]C=C4)CCC[N+]5=CNC=C5)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(O2)C(=O)C3=C(C(=O)N(C3C4=CC=[NH+]C=C4)CCC[N+]5=CNC=C5)O

InChI

InChI=1S/C24H20N4O4/c29-22(19-14-17-4-1-2-5-18(17)32-19)20-21(16-6-8-25-9-7-16)28(24(31)23(20)30)12-3-11-27-13-10-26-15-27/h1-2,4-10,13-15,21H,3,11-12H2,(H,29,30)/p+2