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

Systemtic Name: 1-(butylsulfanylmethyl)-3-ethyl-benzimidazol-1-ium chloride Openeye Name: 1-(butylsulfanylmethyl)-3-ethyl-benzimidazol-1-ium chloride CAS Name: 1-[(butylthio)methyl]-3-ethylbenzimidazol-1-ium chloride IUPAC Name: 1-(butylsulfanylmethyl)-3-ethylbenzimidazol-1-ium chloride Traditional Name: 1-[(butylthio)methyl]-3-ethyl-benzimidazol-1-ium chloride Formula: C14H21ClN2S MolecularWeight: 284.84794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N2S.ClH/c1-3-5-10-17-12-16-11-15(4-2)13-8-6-7-9-14(13)16;/h6-9,11H,3-5,10,12H2,1-2H3;1H/q+1;/p-1