[3-(4-bromophenyl)carbonyl-2-methyl-5-oxidanyl-1-benzofuran-4-yl]methyl-diethyl-azanium chloride

Systemtic Name: [3-(4-bromophenyl)carbonyl-2-methyl-5-oxidanyl-1-benzofuran-4-yl]methyl-diethyl-azanium chloride Openeye Name: [3-(4-bromobenzoyl)-5-hydroxy-2-methyl-benzofuran-4-yl]methyl-diethyl-ammonium chloride CAS Name: [3-[(4-bromophenyl)-oxomethyl]-5-hydroxy-2-methyl-4-benzofuranyl]methyl-diethylammonium chloride IUPAC Name: [3-(4-bromobenzoyl)-5-hydroxy-2-methyl-1-benzofuran-4-yl]methyl-diethylazanium chloride Traditional Name: [3-(4-bromobenzoyl)-5-hydroxy-2-methyl-benzofuran-4-yl]methyl-diethyl-ammonium chloride Formula: C21H23BrClNO3 MolecularWeight: 452.76922

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=C(C=CC2=C1C(=C(O2)C)C(=O)C3=CC=C(C=C3)Br)O.[Cl-]

Isomeric SMILES

CC[NH+](CC)CC1=C(C=CC2=C1C(=C(O2)C)C(=O)C3=CC=C(C=C3)Br)O.[Cl-]

InChI

InChI=1S/C21H22BrNO3.ClH/c1-4-23(5-2)12-16-17(24)10-11-18-20(16)19(13(3)26-18)21(25)14-6-8-15(22)9-7-14;/h6-11,24H,4-5,12H2,1-3H3;1H