4-(furan-2-ylcarbonyl)-5-(3-phenoxyphenyl)-1-(pyridin-1-ium-3-ylmethyl)pyrrolidine-2,3-dione

Systemtic Name: 4-(furan-2-ylcarbonyl)-5-(3-phenoxyphenyl)-1-(pyridin-1-ium-3-ylmethyl)pyrrolidine-2,3-dione Openeye Name: 4-(furan-2-carbonyl)-5-(3-phenoxyphenyl)-1-(pyridin-1-ium-3-ylmethyl)pyrrolidine-2,3-dione CAS Name: 4-[2-furanyl(oxo)methyl]-5-(3-phenoxyphenyl)-1-(3-pyridin-1-iumylmethyl)pyrrolidine-2,3-dione IUPAC Name: 4-(furan-2-carbonyl)-5-(3-phenoxyphenyl)-1-(pyridin-1-ium-3-ylmethyl)pyrrolidine-2,3-dione Traditional Name: 4-(2-furoyl)-5-(3-phenoxyphenyl)-1-(pyridin-1-ium-3-ylmethyl)pyrrolidine-2,3-quinone Formula: C27H21N2O5+ MolecularWeight: 453.46604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC(=C2)C3C(C(=O)C(=O)N3CC4=C[NH+]=CC=C4)C(=O)C5=CC=CO5

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2)C3C(C(=O)C(=O)N3CC4=C[NH+]=CC=C4)C(=O)C5=CC=CO5

InChI

InChI=1S/C27H20N2O5/c30-25(22-12-6-14-33-22)23-24(29(27(32)26(23)31)17-18-7-5-13-28-16-18)19-8-4-11-21(15-19)34-20-9-2-1-3-10-20/h1-16,23-24H,17H2/p+1