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

Systemtic Name: 3-(furan-2-ylcarbonyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxidanylidene-2-(3-propoxyphenyl)-2H-pyrrol-4-olate Openeye Name: 3-(furan-2-carbonyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxo-2-(3-propoxyphenyl)-2H-pyrrol-4-olate CAS Name: 3-[2-furanyl(oxo)methyl]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxo-2-(3-propoxyphenyl)-2H-pyrrol-4-olate IUPAC Name: 3-(furan-2-carbonyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxo-2-(3-propoxyphenyl)-2H-pyrrol-4-olate Traditional Name: 4-(2-furoyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-keto-5-(3-propoxyphenyl)-3-pyrrolin-3-olate Formula: C24H25N3O5 MolecularWeight: 435.4724

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C2C(=C(C(=O)N2CCC[N+]3=CNC=C3)[O-])C(=O)C4=CC=CO4

Isomeric SMILES

CCCOC1=CC=CC(=C1)C2C(=C(C(=O)N2CCC[N+]3=CNC=C3)[O-])C(=O)C4=CC=CO4

InChI

InChI=1S/C24H25N3O5/c1-2-13-31-18-7-3-6-17(15-18)21-20(22(28)19-8-4-14-32-19)23(29)24(30)27(21)11-5-10-26-12-9-25-16-26/h3-4,6-9,12,14-16,21H,2,5,10-11,13H2,1H3,(H,28,29)