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

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanylmethyl]-1H-benzimidazol-3-ium Openeye Name: 2-[(4-fluorophenyl)methylsulfanylmethyl]-1H-benzimidazol-3-ium CAS Name: 2-[[(4-fluorophenyl)methylthio]methyl]-1H-benzimidazol-3-ium IUPAC Name: 2-[(4-fluorophenyl)methylsulfanylmethyl]-1H-benzimidazol-3-ium Traditional Name: 2-[[(4-fluorobenzyl)thio]methyl]-1H-benzimidazol-3-ium Formula: C15H14FN2S+ MolecularWeight: 273.348463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=[NH+]2)CSCC3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C2C(=C1)NC(=[NH+]2)CSCC3=CC=C(C=C3)F

InChI

InChI=1S/C15H13FN2S/c16-12-7-5-11(6-8-12)9-19-10-15-17-13-3-1-2-4-14(13)18-15/h1-8H,9-10H2,(H,17,18)/p+1