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

Systemtic Name: [3-ethanoyl-5-oxidanyl-2-(phenylsulfanylmethyl)-1-benzofuran-4-yl]methyl-dimethyl-azanium chloride Openeye Name: [3-acetyl-5-hydroxy-2-(phenylsulfanylmethyl)benzofuran-4-yl]methyl-dimethyl-ammonium chloride CAS Name: [3-acetyl-5-hydroxy-2-[(phenylthio)methyl]-4-benzofuranyl]methyl-dimethylammonium chloride IUPAC Name: [3-acetyl-5-hydroxy-2-(phenylsulfanylmethyl)-1-benzofuran-4-yl]methyl-dimethylazanium chloride Traditional Name: [3-acetyl-5-hydroxy-2-[(phenylthio)methyl]benzofuran-4-yl]methyl-dimethyl-ammonium chloride Formula: C20H22ClNO3S MolecularWeight: 391.91158

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(OC2=C1C(=C(C=C2)O)C[NH+](C)C)CSC3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC(=O)C1=C(OC2=C1C(=C(C=C2)O)C[NH+](C)C)CSC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C20H21NO3S.ClH/c1-13(22)19-18(12-25-14-7-5-4-6-8-14)24-17-10-9-16(23)15(20(17)19)11-21(2)3;/h4-10,23H,11-12H2,1-3H3;1H