N-(2,6-dimethylphenyl)-2-pyridin-1-ium-2-ylsulfanyl-ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-pyridin-1-ium-2-ylsulfanyl-ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-pyridin-1-ium-2-ylsulfanyl-acetamide CAS Name: N-(2,6-dimethylphenyl)-2-(2-pyridin-1-iumylthio)acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-pyridin-1-ium-2-ylsulfanylacetamide Traditional Name: N-(2,6-dimethylphenyl)-2-(pyridin-1-ium-2-ylthio)acetamide Formula: C15H17N2OS+ MolecularWeight: 273.37328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CSC2=CC=CC=[NH+]2

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CSC2=CC=CC=[NH+]2

InChI

InChI=1S/C15H16N2OS/c1-11-6-5-7-12(2)15(11)17-13(18)10-19-14-8-3-4-9-16-14/h3-9H,10H2,1-2H3,(H,17,18)/p+1