1-(hexylsulfanylmethyl)-3-octyl-benzimidazol-1-ium

Systemtic Name: 1-(hexylsulfanylmethyl)-3-octyl-benzimidazol-1-ium Openeye Name: 1-(hexylsulfanylmethyl)-3-octyl-benzimidazol-1-ium CAS Name: 1-[(hexylthio)methyl]-3-octylbenzimidazol-1-ium IUPAC Name: 1-(hexylsulfanylmethyl)-3-octylbenzimidazol-1-ium Traditional Name: 1-[(hexylthio)methyl]-3-octyl-benzimidazol-1-ium Formula: C22H37N2S+ MolecularWeight: 361.60758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C=[N+](C2=CC=CC=C21)CSCCCCCC

Isomeric SMILES

CCCCCCCCN1C=[N+](C2=CC=CC=C21)CSCCCCCC

InChI

InChI=1S/C22H37N2S/c1-3-5-7-9-10-13-17-23-19-24(20-25-18-14-8-6-4-2)22-16-12-11-15-21(22)23/h11-12,15-16,19H,3-10,13-14,17-18,20H2,1-2H3/q+1