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

Systemtic Name: 1-butyl-3-(octylsulfanylmethyl)benzimidazol-3-ium chloride Openeye Name: 1-butyl-3-(octylsulfanylmethyl)benzimidazol-3-ium chloride CAS Name: 1-butyl-3-[(octylthio)methyl]benzimidazol-3-ium chloride IUPAC Name: 1-butyl-3-(octylsulfanylmethyl)benzimidazol-3-ium chloride Traditional Name: 1-butyl-3-[(octylthio)methyl]benzimidazol-3-ium chloride Formula: C20H33ClN2S MolecularWeight: 369.00742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33N2S.ClH/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;1H/q+1;/p-1