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

Systemtic Name: 3-(1-benzofuran-2-ylcarbonyl)-2-(2,3-dimethoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: 3-(benzofuran-2-carbonyl)-2-(2,3-dimethoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2H-pyrrol-4-olate CAS Name: 3-[2-benzofuranyl(oxo)methyl]-2-(2,3-dimethoxyphenyl)-1-[3-(4-morpholin-4-iumyl)propyl]-5-oxo-2H-pyrrol-4-olate IUPAC Name: 3-(1-benzofuran-2-carbonyl)-2-(2,3-dimethoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: 4-(benzofuran-2-carbonyl)-5-(2,3-dimethoxyphenyl)-2-keto-1-(3-morpholin-4-ium-4-ylpropyl)-3-pyrrolin-3-olate Formula: C28H30N2O7 MolecularWeight: 506.547

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C2C(=C(C(=O)N2CCC[NH+]3CCOCC3)[O-])C(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

COC1=CC=CC(=C1OC)C2C(=C(C(=O)N2CCC[NH+]3CCOCC3)[O-])C(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C28H30N2O7/c1-34-21-10-5-8-19(27(21)35-2)24-23(25(31)22-17-18-7-3-4-9-20(18)37-22)26(32)28(33)30(24)12-6-11-29-13-15-36-16-14-29/h3-5,7-10,17,24,32H,6,11-16H2,1-2H3