(2R)-3-(1-benzofuran-2-ylcarbonyl)-1-[2-(dimethylazaniumyl)ethyl]-5-oxidanylidene-2-phenyl-2H-pyrrol-4-olate

Systemtic Name: (2R)-3-(1-benzofuran-2-ylcarbonyl)-1-[2-(dimethylazaniumyl)ethyl]-5-oxidanylidene-2-phenyl-2H-pyrrol-4-olate Openeye Name: (2R)-3-(benzofuran-2-carbonyl)-1-[2-(dimethylammonio)ethyl]-5-oxo-2-phenyl-2H-pyrrol-4-olate CAS Name: (2R)-3-[2-benzofuranyl(oxo)methyl]-1-[2-(dimethylammonio)ethyl]-5-oxo-2-phenyl-2H-pyrrol-4-olate IUPAC Name: (2R)-3-(1-benzofuran-2-carbonyl)-1-[2-(dimethylazaniumyl)ethyl]-5-oxo-2-phenyl-2H-pyrrol-4-olate Traditional Name: (5R)-4-(benzofuran-2-carbonyl)-1-[2-(dimethylammonio)ethyl]-2-keto-5-phenyl-3-pyrrolin-3-olate Formula: C23H22N2O4 MolecularWeight: 390.43178

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O4/c1-24(2)12-13-25-20(15-8-4-3-5-9-15)19(22(27)23(25)28)21(26)18-14-16-10-6-7-11-17(16)29-18/h3-11,14,20,27H,12-13H2,1-2H3/t20-/m1/s1