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

Systemtic Name: 3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxidanylidene-2-pyridin-4-yl-2H-pyrrol-4-olate Openeye Name: 3-(7-methoxybenzofuran-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2-(4-pyridyl)-2H-pyrrol-4-olate CAS Name: 3-[(7-methoxy-2-benzofuranyl)-oxomethyl]-1-[3-(4-morpholin-4-iumyl)propyl]-5-oxo-2-pyridin-4-yl-2H-pyrrol-4-olate IUPAC Name: 3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2-pyridin-4-yl-2H-pyrrol-4-olate Traditional Name: 2-keto-4-(7-methoxybenzofuran-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-(4-pyridyl)-3-pyrrolin-3-olate Formula: C26H27N3O6 MolecularWeight: 477.50908

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=C2)C(=O)C3=C(C(=O)N(C3C4=CC=NC=C4)CCC[NH+]5CCOCC5)[O-]

Isomeric SMILES

COC1=CC=CC2=C1OC(=C2)C(=O)C3=C(C(=O)N(C3C4=CC=NC=C4)CCC[NH+]5CCOCC5)[O-]

InChI

InChI=1S/C26H27N3O6/c1-33-19-5-2-4-18-16-20(35-25(18)19)23(30)21-22(17-6-8-27-9-7-17)29(26(32)24(21)31)11-3-10-28-12-14-34-15-13-28/h2,4-9,16,22,31H,3,10-15H2,1H3