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

Systemtic Name: 3-(1-benzofuran-2-ylcarbonyl)-2-(2-methoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: 3-(benzofuran-2-carbonyl)-2-(2-methoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2H-pyrrol-4-olate CAS Name: 3-[2-benzofuranyl(oxo)methyl]-2-(2-methoxyphenyl)-1-[3-(4-morpholin-4-iumyl)propyl]-5-oxo-2H-pyrrol-4-olate IUPAC Name: 3-(1-benzofuran-2-carbonyl)-2-(2-methoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: 4-(benzofuran-2-carbonyl)-2-keto-5-(2-methoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-3-pyrrolin-3-olate Formula: C27H28N2O6 MolecularWeight: 476.52102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2C(=C(C(=O)N2CCC[NH+]3CCOCC3)[O-])C(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

COC1=CC=CC=C1C2C(=C(C(=O)N2CCC[NH+]3CCOCC3)[O-])C(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C27H28N2O6/c1-33-21-10-5-3-8-19(21)24-23(25(30)22-17-18-7-2-4-9-20(18)35-22)26(31)27(32)29(24)12-6-11-28-13-15-34-16-14-28/h2-5,7-10,17,24,31H,6,11-16H2,1H3