N-(2-bromanyl-4,5-dimethyl-phenyl)-2-[3-cyano-4-(methoxymethyl)-6-methyl-pyridin-1-ium-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-bromanyl-4,5-dimethyl-phenyl)-2-[3-cyano-4-(methoxymethyl)-6-methyl-pyridin-1-ium-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-bromo-4,5-dimethyl-phenyl)-2-[3-cyano-4-(methoxymethyl)-6-methyl-pyridin-1-ium-2-yl]sulfanyl-acetamide CAS Name: N-(2-bromo-4,5-dimethylphenyl)-2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridin-1-iumyl]thio]acetamide IUPAC Name: N-(2-bromo-4,5-dimethylphenyl)-2-[3-cyano-4-(methoxymethyl)-6-methylpyridin-1-ium-2-yl]sulfanylacetamide Traditional Name: N-(2-bromo-4,5-dimethyl-phenyl)-2-[[3-cyano-4-(methoxymethyl)-6-methyl-pyridin-1-ium-2-yl]thio]acetamide Formula: C19H21BrN3O2S+ MolecularWeight: 435.35794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)Br)NC(=O)CSC2=C(C(=CC(=[NH+]2)C)COC)C#N

Isomeric SMILES

CC1=CC(=C(C=C1C)Br)NC(=O)CSC2=C(C(=CC(=[NH+]2)C)COC)C#N

InChI

InChI=1S/C19H20BrN3O2S/c1-11-5-16(20)17(6-12(11)2)23-18(24)10-26-19-15(8-21)14(9-25-4)7-13(3)22-19/h5-7H,9-10H2,1-4H3,(H,23,24)/p+1