[3-ethanoyl-5-oxidanyl-2-[(phenylmethylsulfanyl)methyl]-1-benzofuran-4-yl]methyl-dimethyl-azanium chloride

Systemtic Name: [3-ethanoyl-5-oxidanyl-2-[(phenylmethylsulfanyl)methyl]-1-benzofuran-4-yl]methyl-dimethyl-azanium chloride Openeye Name: [3-acetyl-2-(benzylsulfanylmethyl)-5-hydroxy-benzofuran-4-yl]methyl-dimethyl-ammonium chloride CAS Name: [3-acetyl-5-hydroxy-2-[(phenylmethylthio)methyl]-4-benzofuranyl]methyl-dimethylammonium chloride IUPAC Name: [3-acetyl-2-(benzylsulfanylmethyl)-5-hydroxy-1-benzofuran-4-yl]methyl-dimethylazanium chloride Traditional Name: [3-acetyl-2-[(benzylthio)methyl]-5-hydroxy-benzofuran-4-yl]methyl-dimethyl-ammonium chloride Formula: C21H24ClNO3S MolecularWeight: 405.93816

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(OC2=C1C(=C(C=C2)O)C[NH+](C)C)CSCC3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC(=O)C1=C(OC2=C1C(=C(C=C2)O)C[NH+](C)C)CSCC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C21H23NO3S.ClH/c1-14(23)20-19(13-26-12-15-7-5-4-6-8-15)25-18-10-9-17(24)16(21(18)20)11-22(2)3;/h4-10,24H,11-13H2,1-3H3;1H