2-(dodecylsulfanylmethyl)-1H-benzimidazol-3-ium chloride

Systemtic Name: 2-(dodecylsulfanylmethyl)-1H-benzimidazol-3-ium chloride Openeye Name: 2-(dodecylsulfanylmethyl)-1H-benzimidazol-3-ium chloride CAS Name: 2-[(dodecylthio)methyl]-1H-benzimidazol-3-ium chloride IUPAC Name: 2-(dodecylsulfanylmethyl)-1H-benzimidazol-3-ium chloride Traditional Name: 2-[(laurylthio)methyl]-1H-benzimidazol-3-ium chloride Formula: C20H33ClN2S MolecularWeight: 369.00742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSCC1=[NH+]C2=CC=CC=C2N1.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCSCC1=[NH+]C2=CC=CC=C2N1.[Cl-]

InChI

InChI=1S/C20H32N2S.ClH/c1-2-3-4-5-6-7-8-9-10-13-16-23-17-20-21-18-14-11-12-15-19(18)22-20;/h11-12,14-15H,2-10,13,16-17H2,1H3,(H,21,22);1H