2-[3-cyano-4-(methoxymethyl)-6-methyl-pyridin-2-yl]sulfanylethyl-dimethyl-(2-oxidanylidene-2-phenylazanyl-ethyl)azanium chloride

Systemtic Name: 2-[3-cyano-4-(methoxymethyl)-6-methyl-pyridin-2-yl]sulfanylethyl-dimethyl-(2-oxidanylidene-2-phenylazanyl-ethyl)azanium chloride Openeye Name: (2-anilino-2-oxo-ethyl)-[2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridyl]sulfanyl]ethyl]-dimethyl-ammonium chloride CAS Name: (2-anilino-2-oxoethyl)-[2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]thio]ethyl]-dimethylammonium chloride IUPAC Name: (2-anilino-2-oxoethyl)-[2-[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanylethyl]-dimethylazanium chloride Traditional Name: (2-anilino-2-keto-ethyl)-[2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridyl]thio]ethyl]-dimethyl-ammonium chloride Formula: C21H27ClN4O2S MolecularWeight: 434.98268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)COC)C#N)SCC[N+](C)(C)CC(=O)NC2=CC=CC=C2.[Cl-]

Isomeric SMILES

CC1=NC(=C(C(=C1)COC)C#N)SCC[N+](C)(C)CC(=O)NC2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C21H26N4O2S.ClH/c1-16-12-17(15-27-4)19(13-22)21(23-16)28-11-10-25(2,3)14-20(26)24-18-8-6-5-7-9-18;/h5-9,12H,10-11,14-15H2,1-4H3;1H