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

Systemtic Name: [3-(2-methoxy-2-oxidanylidene-ethyl)-5-oxidanyl-2-(phenylsulfanylmethyl)-1-benzofuran-4-yl]methyl-dimethyl-azanium Openeye Name: [5-hydroxy-3-(2-methoxy-2-oxo-ethyl)-2-(phenylsulfanylmethyl)benzofuran-4-yl]methyl-dimethyl-ammonium CAS Name: [5-hydroxy-3-(2-methoxy-2-oxoethyl)-2-[(phenylthio)methyl]-4-benzofuranyl]methyl-dimethylammonium IUPAC Name: [5-hydroxy-3-(2-methoxy-2-oxoethyl)-2-(phenylsulfanylmethyl)-1-benzofuran-4-yl]methyl-dimethylazanium Traditional Name: [5-hydroxy-3-(2-keto-2-methoxy-ethyl)-2-[(phenylthio)methyl]benzofuran-4-yl]methyl-dimethyl-ammonium Formula: C21H24NO4S+ MolecularWeight: 386.48456

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=C(C=CC2=C1C(=C(O2)CSC3=CC=CC=C3)CC(=O)OC)O

Isomeric SMILES

C[NH+](C)CC1=C(C=CC2=C1C(=C(O2)CSC3=CC=CC=C3)CC(=O)OC)O

InChI

InChI=1S/C21H23NO4S/c1-22(2)12-16-17(23)9-10-18-21(16)15(11-20(24)25-3)19(26-18)13-27-14-7-5-4-6-8-14/h4-10,23H,11-13H2,1-3H3/p+1