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1-butyl-3-(dodecylsulfanylmethyl)benzimidazol-3-ium chloride

1-butyl-3-(dodecylsulfanylmethyl)benzimidazol-3-ium chloride

Systemtic Name:1-butyl-3-(dodecylsulfanylmethyl)benzimidazol-3-ium chloride
Openeye Name:1-butyl-3-(dodecylsulfanylmethyl)benzimidazol-3-ium chloride
CAS Name:1-butyl-3-[(dodecylthio)methyl]benzimidazol-3-ium chloride
IUPAC Name:1-butyl-3-(dodecylsulfanylmethyl)benzimidazol-3-ium chloride
Traditional Name:1-butyl-3-[(laurylthio)methyl]benzimidazol-3-ium chloride
Formula: C24H41ClN2S
MolecularWeight: 425.11374
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC[N+]1=CN(C2=CC=CC=C21)CCCC.[Cl-]


Isomeric SMILES

CCCCCCCCCCCCSC[N+]1=CN(C2=CC=CC=C21)CCCC.[Cl-]


InChI

InChI=1S/C24H41N2S.ClH/c1-3-5-7-8-9-10-11-12-13-16-20-27-22-26-21-25(19-6-4-2)23-17-14-15-18-24(23)26;/h14-15,17-18,21H,3-13,16,19-20,22H2,1-2H3;1H/q+1;/p-1


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