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

Systemtic Name: 2-[(2R)-3-(1-benzofuran-2-ylcarbonyl)-2-(furan-2-yl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]ethyl-dimethyl-azanium Openeye Name: 2-[(2R)-3-(benzofuran-2-carbonyl)-2-(2-furyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]ethyl-dimethyl-ammonium CAS Name: 2-[(2R)-3-[2-benzofuranyl(oxo)methyl]-2-(2-furanyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]ethyl-dimethylammonium IUPAC Name: 2-[(2R)-3-(1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]ethyl-dimethylazanium Traditional Name: 2-[(2R)-3-(benzofuran-2-carbonyl)-2-(2-furyl)-4-hydroxy-5-keto-3-pyrrolin-1-yl]ethyl-dimethyl-ammonium Formula: C21H21N2O5+ MolecularWeight: 381.40184

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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=CO4

Isomeric SMILES

C[NH+](C)CCN1[C@H](C(=C(C1=O)O)C(=O)C2=CC3=CC=CC=C3O2)C4=CC=CO4

InChI

InChI=1S/C21H20N2O5/c1-22(2)9-10-23-18(15-8-5-11-27-15)17(20(25)21(23)26)19(24)16-12-13-6-3-4-7-14(13)28-16/h3-8,11-12,18,25H,9-10H2,1-2H3/p+1/t18-/m0/s1