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

Systemtic Name: (2R)-3-(1-benzofuran-2-ylcarbonyl)-1-[3-(dimethylazaniumyl)propyl]-5-oxidanylidene-2-pyridin-3-yl-2H-pyrrol-4-olate Openeye Name: (2R)-3-(benzofuran-2-carbonyl)-1-[3-(dimethylammonio)propyl]-5-oxo-2-(3-pyridyl)-2H-pyrrol-4-olate CAS Name: (2R)-3-[2-benzofuranyl(oxo)methyl]-1-[3-(dimethylammonio)propyl]-5-oxo-2-(3-pyridinyl)-2H-pyrrol-4-olate IUPAC Name: (2R)-3-(1-benzofuran-2-carbonyl)-1-[3-(dimethylazaniumyl)propyl]-5-oxo-2-pyridin-3-yl-2H-pyrrol-4-olate Traditional Name: (5R)-4-(benzofuran-2-carbonyl)-1-[3-(dimethylammonio)propyl]-2-keto-5-(3-pyridyl)-3-pyrrolin-3-olate Formula: C23H23N3O4 MolecularWeight: 405.44642

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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=CN=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O4/c1-25(2)11-6-12-26-20(16-8-5-10-24-14-16)19(22(28)23(26)29)21(27)18-13-15-7-3-4-9-17(15)30-18/h3-5,7-10,13-14,20,28H,6,11-12H2,1-2H3/t20-/m1/s1