[3-(3,4-dimethoxyphenyl)carbonyl-5-oxidanyl-1-benzofuran-4-yl]methyl-dimethyl-azanium chloride

Systemtic Name: [3-(3,4-dimethoxyphenyl)carbonyl-5-oxidanyl-1-benzofuran-4-yl]methyl-dimethyl-azanium chloride Openeye Name: [3-(3,4-dimethoxybenzoyl)-5-hydroxy-benzofuran-4-yl]methyl-dimethyl-ammonium chloride CAS Name: [3-[(3,4-dimethoxyphenyl)-oxomethyl]-5-hydroxy-4-benzofuranyl]methyl-dimethylammonium chloride IUPAC Name: [3-(3,4-dimethoxybenzoyl)-5-hydroxy-1-benzofuran-4-yl]methyl-dimethylazanium chloride Traditional Name: (5-hydroxy-3-veratroyl-benzofuran-4-yl)methyl-dimethyl-ammonium chloride Formula: C20H22ClNO5 MolecularWeight: 391.84538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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