1-[3-(1H-imidazol-3-ium-3-yl)propyl]-3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-2-(4-methoxyphenyl)-5-oxidanylidene-2H-pyrrol-4-olate

Systemtic Name: 1-[3-(1H-imidazol-3-ium-3-yl)propyl]-3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-2-(4-methoxyphenyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: 1-[3-(1H-imidazol-3-ium-3-yl)propyl]-3-(7-methoxybenzofuran-2-carbonyl)-2-(4-methoxyphenyl)-5-oxo-2H-pyrrol-4-olate CAS Name: 1-[3-(1H-imidazol-3-ium-3-yl)propyl]-3-[(7-methoxy-2-benzofuranyl)-oxomethyl]-2-(4-methoxyphenyl)-5-oxo-2H-pyrrol-4-olate IUPAC Name: 1-[3-(1H-imidazol-3-ium-3-yl)propyl]-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(4-methoxyphenyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: 1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-keto-4-(7-methoxybenzofuran-2-carbonyl)-5-(4-methoxyphenyl)-3-pyrrolin-3-olate Formula: C27H25N3O6 MolecularWeight: 487.5039

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(=C(C(=O)N2CCC[N+]3=CNC=C3)[O-])C(=O)C4=CC5=C(O4)C(=CC=C5)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2C(=C(C(=O)N2CCC[N+]3=CNC=C3)[O-])C(=O)C4=CC5=C(O4)C(=CC=C5)OC

InChI

InChI=1S/C27H25N3O6/c1-34-19-9-7-17(8-10-19)23-22(24(31)21-15-18-5-3-6-20(35-2)26(18)36-21)25(32)27(33)30(23)13-4-12-29-14-11-28-16-29/h3,5-11,14-16,23H,4,12-13H2,1-2H3,(H,31,32)