2-[(4-methylphenyl)methylsulfanylmethyl]-1H-benzimidazol-3-ium

Systemtic Name: 2-[(4-methylphenyl)methylsulfanylmethyl]-1H-benzimidazol-3-ium Openeye Name: 2-(p-tolylmethylsulfanylmethyl)-1H-benzimidazol-3-ium CAS Name: 2-[[(4-methylphenyl)methylthio]methyl]-1H-benzimidazol-3-ium IUPAC Name: 2-[(4-methylphenyl)methylsulfanylmethyl]-1H-benzimidazol-3-ium Traditional Name: 2-[[(4-methylbenzyl)thio]methyl]-1H-benzimidazol-3-ium Formula: C16H17N2S+ MolecularWeight: 269.38458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCC2=[NH+]C3=CC=CC=C3N2

Isomeric SMILES

CC1=CC=C(C=C1)CSCC2=[NH+]C3=CC=CC=C3N2

InChI

InChI=1S/C16H16N2S/c1-12-6-8-13(9-7-12)10-19-11-16-17-14-4-2-3-5-15(14)18-16/h2-9H,10-11H2,1H3,(H,17,18)/p+1