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

Systemtic Name: dimethyl-[[5-oxidanyl-3-(phenylcarbonyl)-1-benzofuran-4-yl]methyl]azanium chloride Openeye Name: (3-benzoyl-5-hydroxy-benzofuran-4-yl)methyl-dimethyl-ammonium chloride CAS Name: (3-benzoyl-5-hydroxy-4-benzofuranyl)methyl-dimethylammonium chloride IUPAC Name: (3-benzoyl-5-hydroxy-1-benzofuran-4-yl)methyl-dimethylazanium chloride Traditional Name: (3-benzoyl-5-hydroxy-benzofuran-4-yl)methyl-dimethyl-ammonium chloride Formula: C18H18ClNO3 MolecularWeight: 331.79342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO3.ClH/c1-19(2)10-13-15(20)8-9-16-17(13)14(11-22-16)18(21)12-6-4-3-5-7-12;/h3-9,11,20H,10H2,1-2H3;1H