1-(hexylsulfanylmethyl)-3-(phenylmethyl)benzimidazol-3-ium chloride

Systemtic Name: 1-(hexylsulfanylmethyl)-3-(phenylmethyl)benzimidazol-3-ium chloride Openeye Name: 1-benzyl-3-(hexylsulfanylmethyl)benzimidazol-1-ium chloride CAS Name: 1-[(hexylthio)methyl]-3-(phenylmethyl)benzimidazol-3-ium chloride IUPAC Name: 1-benzyl-3-(hexylsulfanylmethyl)benzimidazol-1-ium chloride Traditional Name: 1-benzyl-3-[(hexylthio)methyl]benzimidazol-1-ium chloride Formula: C21H27ClN2S MolecularWeight: 374.97048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSCN1C=[N+](C2=CC=CC=C21)CC3=CC=CC=C3.[Cl-]

Isomeric SMILES

CCCCCCSCN1C=[N+](C2=CC=CC=C21)CC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C21H27N2S.ClH/c1-2-3-4-10-15-24-18-23-17-22(16-19-11-6-5-7-12-19)20-13-8-9-14-21(20)23;/h5-9,11-14,17H,2-4,10,15-16,18H2,1H3;1H/q+1;/p-1