2-[(2,5-dimethylphenyl)methylsulfanyl]-1H-benzimidazol-3-ium

Systemtic Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-1H-benzimidazol-3-ium Openeye Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-1H-benzimidazol-3-ium CAS Name: 2-[(2,5-dimethylphenyl)methylthio]-1H-benzimidazol-3-ium IUPAC Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-1H-benzimidazol-3-ium Traditional Name: 2-[(2,5-dimethylbenzyl)thio]-1H-benzimidazol-3-ium Formula: C16H17N2S+ MolecularWeight: 269.38458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=[NH+]C3=CC=CC=C3N2

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=[NH+]C3=CC=CC=C3N2

InChI

InChI=1S/C16H16N2S/c1-11-7-8-12(2)13(9-11)10-19-16-17-14-5-3-4-6-15(14)18-16/h3-9H,10H2,1-2H3,(H,17,18)/p+1