3-(furan-2-ylcarbonyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxidanylidene-2-pyridin-4-yl-2H-pyrrol-4-olate

Systemtic Name: 3-(furan-2-ylcarbonyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxidanylidene-2-pyridin-4-yl-2H-pyrrol-4-olate Openeye Name: 3-(furan-2-carbonyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxo-2-(4-pyridyl)-2H-pyrrol-4-olate CAS Name: 3-[2-furanyl(oxo)methyl]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxo-2-pyridin-4-yl-2H-pyrrol-4-olate IUPAC Name: 3-(furan-2-carbonyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxo-2-pyridin-4-yl-2H-pyrrol-4-olate Traditional Name: 4-(2-furoyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-keto-5-(4-pyridyl)-3-pyrrolin-3-olate Formula: C20H18N4O4 MolecularWeight: 378.38132

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C(=O)C2=C(C(=O)N(C2C3=CC=NC=C3)CCC[N+]4=CNC=C4)[O-]

Isomeric SMILES

C1=COC(=C1)C(=O)C2=C(C(=O)N(C2C3=CC=NC=C3)CCC[N+]4=CNC=C4)[O-]

InChI

InChI=1S/C20H18N4O4/c25-18(15-3-1-12-28-15)16-17(14-4-6-21-7-5-14)24(20(27)19(16)26)10-2-9-23-11-8-22-13-23/h1,3-8,11-13,17H,2,9-10H2,(H,25,26)