1-[3-(1H-imidazol-3-ium-3-yl)propyl]-3-(5-methylfuran-2-yl)carbonyl-5-oxidanylidene-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-4-olate

Systemtic Name: 1-[3-(1H-imidazol-3-ium-3-yl)propyl]-3-(5-methylfuran-2-yl)carbonyl-5-oxidanylidene-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-4-olate Openeye Name: 1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-(4-isopropoxyphenyl)-3-(5-methylfuran-2-carbonyl)-5-oxo-2H-pyrrol-4-olate CAS Name: 1-[3-(1H-imidazol-3-ium-3-yl)propyl]-3-[(5-methyl-2-furanyl)-oxomethyl]-5-oxo-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-4-olate IUPAC Name: 1-[3-(1H-imidazol-3-ium-3-yl)propyl]-3-(5-methylfuran-2-carbonyl)-5-oxo-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-4-olate Traditional Name: 1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-(4-isopropoxyphenyl)-2-keto-4-(5-methyl-2-furoyl)-3-pyrrolin-3-olate Formula: C25H27N3O5 MolecularWeight: 449.49898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(=O)C2=C(C(=O)N(C2C3=CC=C(C=C3)OC(C)C)CCC[N+]4=CNC=C4)[O-]

Isomeric SMILES

CC1=CC=C(O1)C(=O)C2=C(C(=O)N(C2C3=CC=C(C=C3)OC(C)C)CCC[N+]4=CNC=C4)[O-]

InChI

InChI=1S/C25H27N3O5/c1-16(2)32-19-8-6-18(7-9-19)22-21(23(29)20-10-5-17(3)33-20)24(30)25(31)28(22)13-4-12-27-14-11-26-15-27/h5-11,14-16,22H,4,12-13H2,1-3H3,(H,29,30)