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

Systemtic Name: 5-methyl-2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazol-3-ium chloride Openeye Name: 5-methyl-2-(p-tolylmethylsulfanyl)-4,5-dihydro-1H-imidazol-3-ium chloride CAS Name: 5-methyl-2-[(4-methylphenyl)methylthio]-4,5-dihydro-1H-imidazol-3-ium chloride IUPAC Name: 5-methyl-2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazol-3-ium chloride Traditional Name: 4-methyl-2-[(4-methylbenzyl)thio]-2-imidazolin-1-ium chloride Formula: C12H17ClN2S MolecularWeight: 256.79478

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+]=C(N1)SCC2=CC=C(C=C2)C.[Cl-]

Isomeric SMILES

CC1C[NH+]=C(N1)SCC2=CC=C(C=C2)C.[Cl-]

InChI

InChI=1S/C12H16N2S.ClH/c1-9-3-5-11(6-4-9)8-15-12-13-7-10(2)14-12;/h3-6,10H,7-8H2,1-2H3,(H,13,14);1H