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

Systemtic Name: 1-butyl-3-(octylsulfanylmethyl)benzimidazol-3-ium Openeye Name: 1-butyl-3-(octylsulfanylmethyl)benzimidazol-3-ium CAS Name: 1-butyl-3-[(octylthio)methyl]benzimidazol-3-ium IUPAC Name: 1-butyl-3-(octylsulfanylmethyl)benzimidazol-3-ium Traditional Name: 1-butyl-3-[(octylthio)methyl]benzimidazol-3-ium Formula: C20H33N2S+ MolecularWeight: 333.55442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33N2S/c1-3-5-7-8-9-12-16-23-18-22-17-21(15-6-4-2)19-13-10-11-14-20(19)22/h10-11,13-14,17H,3-9,12,15-16,18H2,1-2H3/q+1