5,6-dimethoxy-3-methyl-2-methylsulfanyl-1H-benzimidazol-3-ium

Systemtic Name: 5,6-dimethoxy-3-methyl-2-methylsulfanyl-1H-benzimidazol-3-ium Openeye Name: 5,6-dimethoxy-3-methyl-2-methylsulfanyl-1H-benzimidazol-3-ium CAS Name: 5,6-dimethoxy-3-methyl-2-(methylthio)-1H-benzimidazol-3-ium IUPAC Name: 5,6-dimethoxy-3-methyl-2-methylsulfanyl-1H-benzimidazol-3-ium Traditional Name: 5,6-dimethoxy-3-methyl-2-(methylthio)-1H-benzimidazol-3-ium Formula: C11H15N2O2S+ MolecularWeight: 239.314

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC2=CC(=C(C=C21)OC)OC)SC

Isomeric SMILES

C[N+]1=C(NC2=CC(=C(C=C21)OC)OC)SC

InChI

InChI=1S/C11H14N2O2S/c1-13-8-6-10(15-3)9(14-2)5-7(8)12-11(13)16-4/h5-6H,1-4H3/p+1