2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazol-3-ium chloride

Systemtic Name: 2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazol-3-ium chloride Openeye Name: 2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazol-3-ium chloride CAS Name: 2-[(2-chlorophenyl)methylthio]-4,5-dihydro-1H-imidazol-3-ium chloride IUPAC Name: 2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazol-3-ium chloride Traditional Name: 2-[(2-chlorobenzyl)thio]-2-imidazolin-1-ium chloride Formula: C10H12Cl2N2S MolecularWeight: 263.18668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]=C(N1)SCC2=CC=CC=C2Cl.[Cl-]

Isomeric SMILES

C1C[NH+]=C(N1)SCC2=CC=CC=C2Cl.[Cl-]

InChI

InChI=1S/C10H11ClN2S.ClH/c11-9-4-2-1-3-8(9)7-14-10-12-5-6-13-10;/h1-4H,5-7H2,(H,12,13);1H