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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[NH+]=C(N2)SCCC(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)[NH+]=C(N2)SCCC(C)C

InChI

InChI=1S/C13H18N2S/c1-9(2)6-7-16-13-14-11-5-4-10(3)8-12(11)15-13/h4-5,8-9H,6-7H2,1-3H3,(H,14,15)/p+1