3-(1-benzofuran-2-ylcarbonyl)-2-(3-methoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxidanylidene-2H-pyrrol-4-olate

Systemtic Name: 3-(1-benzofuran-2-ylcarbonyl)-2-(3-methoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: 3-(benzofuran-2-carbonyl)-2-(3-methoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2H-pyrrol-4-olate CAS Name: 3-[2-benzofuranyl(oxo)methyl]-2-(3-methoxyphenyl)-1-[2-(4-morpholin-4-iumyl)ethyl]-5-oxo-2H-pyrrol-4-olate IUPAC Name: 3-(1-benzofuran-2-carbonyl)-2-(3-methoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: 4-(benzofuran-2-carbonyl)-2-keto-5-(3-methoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-3-pyrrolin-3-olate Formula: C26H26N2O6 MolecularWeight: 462.49444

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2C(=C(C(=O)N2CC[NH+]3CCOCC3)[O-])C(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

COC1=CC=CC(=C1)C2C(=C(C(=O)N2CC[NH+]3CCOCC3)[O-])C(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C26H26N2O6/c1-32-19-7-4-6-18(15-19)23-22(24(29)21-16-17-5-2-3-8-20(17)34-21)25(30)26(31)28(23)10-9-27-11-13-33-14-12-27/h2-8,15-16,23,30H,9-14H2,1H3