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

Systemtic Name: 2-[(2S)-3-(1-benzofuran-2-ylcarbonyl)-2-(furan-2-yl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]ethyl-diethyl-azanium Openeye Name: 2-[(2S)-3-(benzofuran-2-carbonyl)-2-(2-furyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]ethyl-diethyl-ammonium CAS Name: 2-[(2S)-3-[2-benzofuranyl(oxo)methyl]-2-(2-furanyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]ethyl-diethylammonium IUPAC Name: 2-[(2S)-3-(1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]ethyl-diethylazanium Traditional Name: 2-[(2S)-3-(benzofuran-2-carbonyl)-2-(2-furyl)-4-hydroxy-5-keto-3-pyrrolin-1-yl]ethyl-diethyl-ammonium Formula: C23H25N2O5+ MolecularWeight: 409.455

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(C(=C(C1=O)O)C(=O)C2=CC3=CC=CC=C3O2)C4=CC=CO4

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O5/c1-3-24(4-2)11-12-25-20(17-10-7-13-29-17)19(22(27)23(25)28)21(26)18-14-15-8-5-6-9-16(15)30-18/h5-10,13-14,20,27H,3-4,11-12H2,1-2H3/p+1/t20-/m1/s1