6-methyl-5-[2-(4-methylpyridin-1-ium-1-yl)ethanoyl]-2-methylsulfanyl-pyridine-3-carbonitrile bromide

Systemtic Name: 6-methyl-5-[2-(4-methylpyridin-1-ium-1-yl)ethanoyl]-2-methylsulfanyl-pyridine-3-carbonitrile bromide Openeye Name: 6-methyl-5-[2-(4-methylpyridin-1-ium-1-yl)acetyl]-2-methylsulfanyl-pyridine-3-carbonitrile bromide CAS Name: 6-methyl-5-[2-(4-methyl-1-pyridin-1-iumyl)-1-oxoethyl]-2-(methylthio)-3-pyridinecarbonitrile bromide IUPAC Name: 6-methyl-5-[2-(4-methylpyridin-1-ium-1-yl)acetyl]-2-methylsulfanylpyridine-3-carbonitrile bromide Traditional Name: 6-methyl-5-[2-(4-methylpyridin-1-ium-1-yl)acetyl]-2-(methylthio)nicotinonitrile bromide Formula: C16H16BrN3OS MolecularWeight: 378.28674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)CC(=O)C2=C(N=C(C(=C2)C#N)SC)C.[Br-]

Isomeric SMILES

CC1=CC=[N+](C=C1)CC(=O)C2=C(N=C(C(=C2)C#N)SC)C.[Br-]

InChI

InChI=1S/C16H16N3OS.BrH/c1-11-4-6-19(7-5-11)10-15(20)14-8-13(9-17)16(21-3)18-12(14)2;/h4-8H,10H2,1-3H3;1H/q+1;/p-1