[3-ethoxycarbonyl-2-[(4-ethylphenyl)sulfanylmethyl]-5-oxidanyl-1-benzofuran-4-yl]methyl-dimethyl-azanium chloride

Systemtic Name: [3-ethoxycarbonyl-2-[(4-ethylphenyl)sulfanylmethyl]-5-oxidanyl-1-benzofuran-4-yl]methyl-dimethyl-azanium chloride Openeye Name: [3-ethoxycarbonyl-2-[(4-ethylphenyl)sulfanylmethyl]-5-hydroxy-benzofuran-4-yl]methyl-dimethyl-ammonium chloride CAS Name: [3-ethoxycarbonyl-2-[[(4-ethylphenyl)thio]methyl]-5-hydroxy-4-benzofuranyl]methyl-dimethylammonium chloride IUPAC Name: [3-ethoxycarbonyl-2-[(4-ethylphenyl)sulfanylmethyl]-5-hydroxy-1-benzofuran-4-yl]methyl-dimethylazanium chloride Traditional Name: [3-carbethoxy-2-[[(4-ethylphenyl)thio]methyl]-5-hydroxy-benzofuran-4-yl]methyl-dimethyl-ammonium chloride Formula: C23H28ClNO4S MolecularWeight: 449.99072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)SCC2=C(C3=C(O2)C=CC(=C3C[NH+](C)C)O)C(=O)OCC.[Cl-]

Isomeric SMILES

CCC1=CC=C(C=C1)SCC2=C(C3=C(O2)C=CC(=C3C[NH+](C)C)O)C(=O)OCC.[Cl-]

InChI

InChI=1S/C23H27NO4S.ClH/c1-5-15-7-9-16(10-8-15)29-14-20-22(23(26)27-6-2)21-17(13-24(3)4)18(25)11-12-19(21)28-20;/h7-12,25H,5-6,13-14H2,1-4H3;1H