4-[(dimethylazaniumyl)methyl]-3-[(5-methoxy-1-benzofuran-3-yl)carbonyl]-1-benzofuran-5-olate

Systemtic Name: 4-[(dimethylazaniumyl)methyl]-3-[(5-methoxy-1-benzofuran-3-yl)carbonyl]-1-benzofuran-5-olate Openeye Name: 4-[(dimethylammonio)methyl]-3-(5-methoxybenzofuran-3-carbonyl)benzofuran-5-olate CAS Name: 4-[(dimethylammonio)methyl]-3-[(5-methoxy-3-benzofuranyl)-oxomethyl]-5-benzofuranolate IUPAC Name: 4-[(dimethylazaniumyl)methyl]-3-(5-methoxy-1-benzofuran-3-carbonyl)-1-benzofuran-5-olate Traditional Name: 4-[(dimethylammonio)methyl]-3-(5-methoxybenzofuran-3-carbonyl)benzofuran-5-olate Formula: C21H19NO5 MolecularWeight: 365.37926

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=C(C=CC2=C1C(=CO2)C(=O)C3=COC4=C3C=C(C=C4)OC)[O-]

Isomeric SMILES

C[NH+](C)CC1=C(C=CC2=C1C(=CO2)C(=O)C3=COC4=C3C=C(C=C4)OC)[O-]

InChI

InChI=1S/C21H19NO5/c1-22(2)9-14-17(23)5-7-19-20(14)16(11-27-19)21(24)15-10-26-18-6-4-12(25-3)8-13(15)18/h4-8,10-11,23H,9H2,1-3H3