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

Systemtic Name: 1-(dodecylsulfanylmethyl)-3-ethyl-benzimidazol-1-ium Openeye Name: 1-(dodecylsulfanylmethyl)-3-ethyl-benzimidazol-1-ium CAS Name: 1-[(dodecylthio)methyl]-3-ethylbenzimidazol-1-ium IUPAC Name: 1-(dodecylsulfanylmethyl)-3-ethylbenzimidazol-1-ium Traditional Name: 1-ethyl-3-[(laurylthio)methyl]benzimidazol-3-ium Formula: C22H37N2S+ MolecularWeight: 361.60758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H37N2S/c1-3-5-6-7-8-9-10-11-12-15-18-25-20-24-19-23(4-2)21-16-13-14-17-22(21)24/h13-14,16-17,19H,3-12,15,18,20H2,1-2H3/q+1