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

Systemtic Name: 1-butyl-3-(dodecylsulfanylmethyl)benzimidazol-3-ium Openeye Name: 1-butyl-3-(dodecylsulfanylmethyl)benzimidazol-3-ium CAS Name: 1-butyl-3-[(dodecylthio)methyl]benzimidazol-3-ium IUPAC Name: 1-butyl-3-(dodecylsulfanylmethyl)benzimidazol-3-ium Traditional Name: 1-butyl-3-[(laurylthio)methyl]benzimidazol-3-ium Formula: C24H41N2S+ MolecularWeight: 389.66074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H41N2S/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/q+1