1-(decylsulfanylmethyl)-3-hexyl-benzimidazol-1-ium

Systemtic Name: 1-(decylsulfanylmethyl)-3-hexyl-benzimidazol-1-ium Openeye Name: 1-(decylsulfanylmethyl)-3-hexyl-benzimidazol-1-ium CAS Name: 1-[(decylthio)methyl]-3-hexylbenzimidazol-1-ium IUPAC Name: 1-(decylsulfanylmethyl)-3-hexylbenzimidazol-1-ium Traditional Name: 1-[(decylthio)methyl]-3-hexyl-benzimidazol-1-ium Formula: C24H41N2S+ MolecularWeight: 389.66074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCSC[N+]1=CN(C2=CC=CC=C21)CCCCCC

Isomeric SMILES

CCCCCCCCCCSC[N+]1=CN(C2=CC=CC=C21)CCCCCC

InChI

InChI=1S/C24H41N2S/c1-3-5-7-9-10-11-12-16-20-27-22-26-21-25(19-15-8-6-4-2)23-17-13-14-18-24(23)26/h13-14,17-18,21H,3-12,15-16,19-20,22H2,1-2H3/q+1