2-(1-phenylethylsulfanylmethyl)-1H-benzimidazol-3-ium

Systemtic Name: 2-(1-phenylethylsulfanylmethyl)-1H-benzimidazol-3-ium Openeye Name: 2-(1-phenylethylsulfanylmethyl)-1H-benzimidazol-3-ium CAS Name: 2-[(1-phenylethylthio)methyl]-1H-benzimidazol-3-ium IUPAC Name: 2-(1-phenylethylsulfanylmethyl)-1H-benzimidazol-3-ium Traditional Name: 2-[(1-phenylethylthio)methyl]-1H-benzimidazol-3-ium Formula: C16H17N2S+ MolecularWeight: 269.38458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)SCC2=[NH+]C3=CC=CC=C3N2

Isomeric SMILES

CC(C1=CC=CC=C1)SCC2=[NH+]C3=CC=CC=C3N2

InChI

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