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

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanylmethyl]-1H-benzimidazol-3-ium Openeye Name: 2-[(4-chlorophenyl)methylsulfanylmethyl]-1H-benzimidazol-3-ium CAS Name: 2-[[(4-chlorophenyl)methylthio]methyl]-1H-benzimidazol-3-ium IUPAC Name: 2-[(4-chlorophenyl)methylsulfanylmethyl]-1H-benzimidazol-3-ium Traditional Name: 2-[[(4-chlorobenzyl)thio]methyl]-1H-benzimidazol-3-ium Formula: C15H14ClN2S+ MolecularWeight: 289.80306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13ClN2S/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