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

Systemtic Name: 2-[(2R)-3-(1-benzofuran-2-ylcarbonyl)-4-oxidanyl-5-oxidanylidene-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-1-yl]ethyl-dimethyl-azanium Openeye Name: 2-[(2R)-3-(benzofuran-2-carbonyl)-4-hydroxy-5-oxo-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-1-yl]ethyl-dimethyl-ammonium CAS Name: 2-[(2R)-3-[2-benzofuranyl(oxo)methyl]-4-hydroxy-5-oxo-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-1-yl]ethyl-dimethylammonium IUPAC Name: 2-[(2R)-3-(1-benzofuran-2-carbonyl)-4-hydroxy-5-oxo-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-1-yl]ethyl-dimethylazanium Traditional Name: 2-[(5R)-4-(benzofuran-2-carbonyl)-3-hydroxy-2-keto-5-(3,4,5-trimethoxyphenyl)-3-pyrrolin-1-yl]ethyl-dimethyl-ammonium Formula: C26H29N2O7+ MolecularWeight: 481.51766

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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=CC(=C(C(=C4)OC)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2O7/c1-27(2)10-11-28-22(16-13-19(32-3)25(34-5)20(14-16)33-4)21(24(30)26(28)31)23(29)18-12-15-8-6-7-9-17(15)35-18/h6-9,12-14,22,30H,10-11H2,1-5H3/p+1/t22-/m1/s1