2-[(2R)-3-(1-benzofuran-2-ylcarbonyl)-2-(2,3-dimethoxyphenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]ethyl-dimethyl-azanium

Systemtic Name: 2-[(2R)-3-(1-benzofuran-2-ylcarbonyl)-2-(2,3-dimethoxyphenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]ethyl-dimethyl-azanium Openeye Name: 2-[(2R)-3-(benzofuran-2-carbonyl)-2-(2,3-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]ethyl-dimethyl-ammonium CAS Name: 2-[(2R)-3-[2-benzofuranyl(oxo)methyl]-2-(2,3-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]ethyl-dimethylammonium IUPAC Name: 2-[(2R)-3-(1-benzofuran-2-carbonyl)-2-(2,3-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]ethyl-dimethylazanium Traditional Name: 2-[(2R)-3-(benzofuran-2-carbonyl)-2-(2,3-dimethoxyphenyl)-4-hydroxy-5-keto-3-pyrrolin-1-yl]ethyl-dimethyl-ammonium Formula: C25H27N2O6+ MolecularWeight: 451.49168

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN1C(C(=C(C1=O)O)C(=O)C2=CC3=CC=CC=C3O2)C4=C(C(=CC=C4)OC)OC

Isomeric SMILES

C[NH+](C)CCN1[C@@H](C(=C(C1=O)O)C(=O)C2=CC3=CC=CC=C3O2)C4=C(C(=CC=C4)OC)OC

InChI

InChI=1S/C25H26N2O6/c1-26(2)12-13-27-21(16-9-7-11-18(31-3)24(16)32-4)20(23(29)25(27)30)22(28)19-14-15-8-5-6-10-17(15)33-19/h5-11,14,21,29H,12-13H2,1-4H3/p+1/t21-/m1/s1