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

Systemtic Name: 3-(1-benzofuran-2-ylcarbonyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-(4-methylphenyl)-4-oxidanyl-2H-pyrrol-5-one Openeye Name: 3-(benzofuran-2-carbonyl)-4-hydroxy-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-(p-tolyl)-2H-pyrrol-5-one CAS Name: 3-[2-benzofuranyl(oxo)methyl]-4-hydroxy-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-(4-methylphenyl)-2H-pyrrol-5-one IUPAC Name: 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-(4-methylphenyl)-2H-pyrrol-5-one Traditional Name: 4-(benzofuran-2-carbonyl)-3-hydroxy-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-(p-tolyl)-3-pyrrolin-2-one Formula: C26H24N3O4+ MolecularWeight: 442.48646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(=C(C(=O)N2CCC[N+]3=CNC=C3)O)C(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

CC1=CC=C(C=C1)C2C(=C(C(=O)N2CCC[N+]3=CNC=C3)O)C(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C26H23N3O4/c1-17-7-9-18(10-8-17)23-22(24(30)21-15-19-5-2-3-6-20(19)33-21)25(31)26(32)29(23)13-4-12-28-14-11-27-16-28/h2-3,5-11,14-16,23H,4,12-13H2,1H3,(H,30,31)/p+1