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

Systemtic Name: 2-(4,5-dihydro-1H-imidazol-3-ium-2-ylsulfanyl)-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-(4,5-dihydro-1H-imidazol-3-ium-2-ylsulfanyl)-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-(4,5-dihydro-1H-imidazol-3-ium-2-ylthio)-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-(4,5-dihydro-1H-imidazol-3-ium-2-ylsulfanyl)-N-(2,6-dimethylphenyl)acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-(2-imidazolin-1-ium-2-ylthio)acetamide Formula: C13H18N3OS+ MolecularWeight: 264.36652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3OS/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)/p+1