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

Systemtic Name: (2R)-3-(1-benzofuran-2-ylcarbonyl)-1-[3-(dimethylazaniumyl)propyl]-5-oxidanylidene-2-phenyl-2H-pyrrol-4-olate Openeye Name: (2R)-3-(benzofuran-2-carbonyl)-1-[3-(dimethylammonio)propyl]-5-oxo-2-phenyl-2H-pyrrol-4-olate CAS Name: (2R)-3-[2-benzofuranyl(oxo)methyl]-1-[3-(dimethylammonio)propyl]-5-oxo-2-phenyl-2H-pyrrol-4-olate IUPAC Name: (2R)-3-(1-benzofuran-2-carbonyl)-1-[3-(dimethylazaniumyl)propyl]-5-oxo-2-phenyl-2H-pyrrol-4-olate Traditional Name: (5R)-4-(benzofuran-2-carbonyl)-1-[3-(dimethylammonio)propyl]-2-keto-5-phenyl-3-pyrrolin-3-olate Formula: C24H24N2O4 MolecularWeight: 404.45836

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C(C(=C(C1=O)[O-])C(=O)C2=CC3=CC=CC=C3O2)C4=CC=CC=C4

Isomeric SMILES

C[NH+](C)CCCN1[C@@H](C(=C(C1=O)[O-])C(=O)C2=CC3=CC=CC=C3O2)C4=CC=CC=C4

InChI

InChI=1S/C24H24N2O4/c1-25(2)13-8-14-26-21(16-9-4-3-5-10-16)20(23(28)24(26)29)22(27)19-15-17-11-6-7-12-18(17)30-19/h3-7,9-12,15,21,28H,8,13-14H2,1-2H3/t21-/m1/s1