1-(butylsulfanylmethyl)-3-hexyl-benzimidazol-1-ium chloride

Systemtic Name: 1-(butylsulfanylmethyl)-3-hexyl-benzimidazol-1-ium chloride Openeye Name: 1-(butylsulfanylmethyl)-3-hexyl-benzimidazol-1-ium chloride CAS Name: 1-[(butylthio)methyl]-3-hexylbenzimidazol-1-ium chloride IUPAC Name: 1-(butylsulfanylmethyl)-3-hexylbenzimidazol-1-ium chloride Traditional Name: 1-[(butylthio)methyl]-3-hexyl-benzimidazol-1-ium chloride Formula: C18H29ClN2S MolecularWeight: 340.95426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C=[N+](C2=CC=CC=C21)CSCCCC.[Cl-]

Isomeric SMILES

CCCCCCN1C=[N+](C2=CC=CC=C21)CSCCCC.[Cl-]

InChI

InChI=1S/C18H29N2S.ClH/c1-3-5-7-10-13-19-15-20(16-21-14-6-4-2)18-12-9-8-11-17(18)19;/h8-9,11-12,15H,3-7,10,13-14,16H2,1-2H3;1H/q+1;/p-1