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

Systemtic Name: 2-(2,3-dimethoxyphenyl)-3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: 2-(2,3-dimethoxyphenyl)-3-(7-methoxybenzofuran-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2H-pyrrol-4-olate CAS Name: 2-(2,3-dimethoxyphenyl)-3-[(7-methoxy-2-benzofuranyl)-oxomethyl]-1-[3-(4-morpholin-4-iumyl)propyl]-5-oxo-2H-pyrrol-4-olate IUPAC Name: 2-(2,3-dimethoxyphenyl)-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: 5-(2,3-dimethoxyphenyl)-2-keto-4-(7-methoxybenzofuran-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-3-pyrrolin-3-olate Formula: C29H32N2O8 MolecularWeight: 536.57298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H32N2O8/c1-35-20-9-4-7-18-17-22(39-27(18)20)25(32)23-24(19-8-5-10-21(36-2)28(19)37-3)31(29(34)26(23)33)12-6-11-30-13-15-38-16-14-30/h4-5,7-10,17,24,33H,6,11-16H2,1-3H3