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

Systemtic Name: 2-(4-fluorophenyl)-3-(furan-2-ylcarbonyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: 2-(4-fluorophenyl)-3-(furan-2-carbonyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxo-2H-pyrrol-4-olate CAS Name: 2-(4-fluorophenyl)-3-[2-furanyl(oxo)methyl]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxo-2H-pyrrol-4-olate IUPAC Name: 2-(4-fluorophenyl)-3-(furan-2-carbonyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxo-2H-pyrrol-4-olate Traditional Name: 5-(4-fluorophenyl)-4-(2-furoyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-keto-3-pyrrolin-3-olate Formula: C21H18FN3O4 MolecularWeight: 395.383723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18FN3O4/c22-15-6-4-14(5-7-15)18-17(19(26)16-3-1-12-29-16)20(27)21(28)25(18)10-2-9-24-11-8-23-13-24/h1,3-8,11-13,18H,2,9-10H2,(H,26,27)