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

Systemtic Name: [3-ethanoyl-5-oxidanyl-2-(phenylsulfanylmethyl)-1-benzofuran-4-yl]methyl-dimethyl-azanium Openeye Name: [3-acetyl-5-hydroxy-2-(phenylsulfanylmethyl)benzofuran-4-yl]methyl-dimethyl-ammonium CAS Name: [3-acetyl-5-hydroxy-2-[(phenylthio)methyl]-4-benzofuranyl]methyl-dimethylammonium IUPAC Name: [3-acetyl-5-hydroxy-2-(phenylsulfanylmethyl)-1-benzofuran-4-yl]methyl-dimethylazanium Traditional Name: [3-acetyl-5-hydroxy-2-[(phenylthio)methyl]benzofuran-4-yl]methyl-dimethyl-ammonium Formula: C20H22NO3S+ MolecularWeight: 356.45858

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO3S/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/p+1