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

Systemtic Name: 1-[3-(1H-imidazol-3-ium-3-yl)propyl]-3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-5-oxidanylidene-2-pyridin-3-yl-2H-pyrrol-4-olate Openeye Name: 1-[3-(1H-imidazol-3-ium-3-yl)propyl]-3-(7-methoxybenzofuran-2-carbonyl)-5-oxo-2-(3-pyridyl)-2H-pyrrol-4-olate CAS Name: 1-[3-(1H-imidazol-3-ium-3-yl)propyl]-3-[(7-methoxy-2-benzofuranyl)-oxomethyl]-5-oxo-2-(3-pyridinyl)-2H-pyrrol-4-olate IUPAC Name: 1-[3-(1H-imidazol-3-ium-3-yl)propyl]-3-(7-methoxy-1-benzofuran-2-carbonyl)-5-oxo-2-pyridin-3-yl-2H-pyrrol-4-olate Traditional Name: 1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-keto-4-(7-methoxybenzofuran-2-carbonyl)-5-(3-pyridyl)-3-pyrrolin-3-olate Formula: C25H22N4O5 MolecularWeight: 458.46598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=C2)C(=O)C3=C(C(=O)N(C3C4=CN=CC=C4)CCC[N+]5=CNC=C5)[O-]

Isomeric SMILES

COC1=CC=CC2=C1OC(=C2)C(=O)C3=C(C(=O)N(C3C4=CN=CC=C4)CCC[N+]5=CNC=C5)[O-]

InChI

InChI=1S/C25H22N4O5/c1-33-18-7-2-5-16-13-19(34-24(16)18)22(30)20-21(17-6-3-8-26-14-17)29(25(32)23(20)31)11-4-10-28-12-9-27-15-28/h2-3,5-9,12-15,21H,4,10-11H2,1H3,(H,30,31)