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

Systemtic Name: 2-[3-cyano-4-(methoxymethyl)-6-methyl-pyridin-2-yl]sulfanylethyl-dimethyl-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridyl]sulfanyl]ethyl-dimethyl-[2-(3-methylanilino)-2-oxo-ethyl]ammonium CAS Name: 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]thio]ethyl-dimethyl-[2-(3-methylanilino)-2-oxoethyl]ammonium IUPAC Name: 2-[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanylethyl-dimethyl-[2-(3-methylanilino)-2-oxoethyl]azanium Traditional Name: 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridyl]thio]ethyl-[2-keto-2-(m-toluidino)ethyl]-dimethyl-ammonium Formula: C22H29N4O2S+ MolecularWeight: 413.55626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C[N+](C)(C)CCSC2=C(C(=CC(=N2)C)COC)C#N

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C[N+](C)(C)CCSC2=C(C(=CC(=N2)C)COC)C#N

InChI

InChI=1S/C22H28N4O2S/c1-16-7-6-8-19(11-16)25-21(27)14-26(3,4)9-10-29-22-20(13-23)18(15-28-5)12-17(2)24-22/h6-8,11-12H,9-10,14-15H2,1-5H3/p+1