[3-(2,4-dimethylphenyl)carbonyl-5-oxidanyl-1-benzofuran-4-yl]methyl-dimethyl-azanium chloride

Systemtic Name: [3-(2,4-dimethylphenyl)carbonyl-5-oxidanyl-1-benzofuran-4-yl]methyl-dimethyl-azanium chloride Openeye Name: [3-(2,4-dimethylbenzoyl)-5-hydroxy-benzofuran-4-yl]methyl-dimethyl-ammonium chloride CAS Name: [3-[(2,4-dimethylphenyl)-oxomethyl]-5-hydroxy-4-benzofuranyl]methyl-dimethylammonium chloride IUPAC Name: [3-(2,4-dimethylbenzoyl)-5-hydroxy-1-benzofuran-4-yl]methyl-dimethylazanium chloride Traditional Name: [3-(2,4-dimethylbenzoyl)-5-hydroxy-benzofuran-4-yl]methyl-dimethyl-ammonium chloride Formula: C20H22ClNO3 MolecularWeight: 359.84658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)C2=COC3=C2C(=C(C=C3)O)C[NH+](C)C)C.[Cl-]

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)C2=COC3=C2C(=C(C=C3)O)C[NH+](C)C)C.[Cl-]

InChI

InChI=1S/C20H21NO3.ClH/c1-12-5-6-14(13(2)9-12)20(23)16-11-24-18-8-7-17(22)15(19(16)18)10-21(3)4;/h5-9,11,22H,10H2,1-4H3;1H