6-ethoxy-2-(2-methylprop-2-enylsulfanyl)-1H-benzimidazol-3-ium

Systemtic Name: 6-ethoxy-2-(2-methylprop-2-enylsulfanyl)-1H-benzimidazol-3-ium Openeye Name: 6-ethoxy-2-(2-methylallylsulfanyl)-1H-benzimidazol-3-ium CAS Name: 6-ethoxy-2-(2-methylprop-2-enylthio)-1H-benzimidazol-3-ium IUPAC Name: 6-ethoxy-2-(2-methylprop-2-enylsulfanyl)-1H-benzimidazol-3-ium Traditional Name: 6-ethoxy-2-(2-methylallylthio)-1H-benzimidazol-3-ium Formula: C13H17N2OS+ MolecularWeight: 249.35188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)[NH+]=C(N2)SCC(=C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)[NH+]=C(N2)SCC(=C)C

InChI

InChI=1S/C13H16N2OS/c1-4-16-10-5-6-11-12(7-10)15-13(14-11)17-8-9(2)3/h5-7H,2,4,8H2,1,3H3,(H,14,15)/p+1