3-(2,5-dimethoxyphenyl)carbonyl-4-[(dimethylazaniumyl)methyl]-1-benzofuran-5-olate

Systemtic Name: 3-(2,5-dimethoxyphenyl)carbonyl-4-[(dimethylazaniumyl)methyl]-1-benzofuran-5-olate Openeye Name: 3-(2,5-dimethoxybenzoyl)-4-[(dimethylammonio)methyl]benzofuran-5-olate CAS Name: 3-[(2,5-dimethoxyphenyl)-oxomethyl]-4-[(dimethylammonio)methyl]-5-benzofuranolate IUPAC Name: 3-(2,5-dimethoxybenzoyl)-4-[(dimethylazaniumyl)methyl]-1-benzofuran-5-olate Traditional Name: 3-(2,5-dimethoxybenzoyl)-4-[(dimethylammonio)methyl]benzofuran-5-olate Formula: C20H21NO5 MolecularWeight: 355.38444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO5/c1-21(2)10-14-16(22)6-8-18-19(14)15(11-26-18)20(23)13-9-12(24-3)5-7-17(13)25-4/h5-9,11,22H,10H2,1-4H3