6-methyl-2-(2-methylbutylsulfanyl)-1H-benzimidazol-3-ium

Systemtic Name: 6-methyl-2-(2-methylbutylsulfanyl)-1H-benzimidazol-3-ium Openeye Name: 6-methyl-2-(2-methylbutylsulfanyl)-1H-benzimidazol-3-ium CAS Name: 6-methyl-2-(2-methylbutylthio)-1H-benzimidazol-3-ium IUPAC Name: 6-methyl-2-(2-methylbutylsulfanyl)-1H-benzimidazol-3-ium Traditional Name: 6-methyl-2-(2-methylbutylthio)-1H-benzimidazol-3-ium Formula: C13H19N2S+ MolecularWeight: 235.36836

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CSC1=[NH+]C2=C(N1)C=C(C=C2)C

Isomeric SMILES

CCC(C)CSC1=[NH+]C2=C(N1)C=C(C=C2)C

InChI

InChI=1S/C13H18N2S/c1-4-9(2)8-16-13-14-11-6-5-10(3)7-12(11)15-13/h5-7,9H,4,8H2,1-3H3,(H,14,15)/p+1