2-(4,5-dihydro-1H-imidazol-3-ium-2-ylsulfanyl)-N-(2,6-dimethylphenyl)ethanamide chloride

Systemtic Name: 2-(4,5-dihydro-1H-imidazol-3-ium-2-ylsulfanyl)-N-(2,6-dimethylphenyl)ethanamide chloride Openeye Name: 2-(4,5-dihydro-1H-imidazol-3-ium-2-ylsulfanyl)-N-(2,6-dimethylphenyl)acetamide chloride CAS Name: 2-(4,5-dihydro-1H-imidazol-3-ium-2-ylthio)-N-(2,6-dimethylphenyl)acetamide chloride IUPAC Name: 2-(4,5-dihydro-1H-imidazol-3-ium-2-ylsulfanyl)-N-(2,6-dimethylphenyl)acetamide chloride Traditional Name: N-(2,6-dimethylphenyl)-2-(2-imidazolin-1-ium-2-ylthio)acetamide chloride Formula: C13H18ClN3OS MolecularWeight: 299.81952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CSC2=[NH+]CCN2.[Cl-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CSC2=[NH+]CCN2.[Cl-]

InChI

InChI=1S/C13H17N3OS.ClH/c1-9-4-3-5-10(2)12(9)16-11(17)8-18-13-14-6-7-15-13;/h3-5H,6-8H2,1-2H3,(H,14,15)(H,16,17);1H