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

Systemtic Name: 3-(1-benzofuran-2-ylcarbonyl)-2-(2,5-dimethoxyphenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4-oxidanyl-2H-pyrrol-5-one Openeye Name: 3-(benzofuran-2-carbonyl)-2-(2,5-dimethoxyphenyl)-4-hydroxy-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2H-pyrrol-5-one CAS Name: 3-[2-benzofuranyl(oxo)methyl]-2-(2,5-dimethoxyphenyl)-4-hydroxy-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2H-pyrrol-5-one IUPAC Name: 3-(1-benzofuran-2-carbonyl)-2-(2,5-dimethoxyphenyl)-4-hydroxy-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2H-pyrrol-5-one Traditional Name: 4-(benzofuran-2-carbonyl)-5-(2,5-dimethoxyphenyl)-3-hydroxy-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-3-pyrrolin-2-one Formula: C27H26N3O6+ MolecularWeight: 488.51184

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2C(=C(C(=O)N2CCC[N+]3=CNC=C3)O)C(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2C(=C(C(=O)N2CCC[N+]3=CNC=C3)O)C(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C27H25N3O6/c1-34-18-8-9-21(35-2)19(15-18)24-23(25(31)22-14-17-6-3-4-7-20(17)36-22)26(32)27(33)30(24)12-5-11-29-13-10-28-16-29/h3-4,6-10,13-16,24H,5,11-12H2,1-2H3,(H,31,32)/p+1