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

Systemtic Name: 1-(butylsulfanylmethyl)-3-(phenylmethyl)benzimidazol-3-ium chloride Openeye Name: 1-benzyl-3-(butylsulfanylmethyl)benzimidazol-1-ium chloride CAS Name: 1-[(butylthio)methyl]-3-(phenylmethyl)benzimidazol-3-ium chloride IUPAC Name: 1-benzyl-3-(butylsulfanylmethyl)benzimidazol-1-ium chloride Traditional Name: 1-benzyl-3-[(butylthio)methyl]benzimidazol-1-ium chloride Formula: C19H23ClN2S MolecularWeight: 346.91732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCN1C=[N+](C2=CC=CC=C21)CC3=CC=CC=C3.[Cl-]

Isomeric SMILES

CCCCSCN1C=[N+](C2=CC=CC=C21)CC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C19H23N2S.ClH/c1-2-3-13-22-16-21-15-20(14-17-9-5-4-6-10-17)18-11-7-8-12-19(18)21;/h4-12,15H,2-3,13-14,16H2,1H3;1H/q+1;/p-1