1-(4-methylsulfanylphenyl)-2-(4-pentylpyridin-1-ium-1-yl)ethanone iodide

Systemtic Name: 1-(4-methylsulfanylphenyl)-2-(4-pentylpyridin-1-ium-1-yl)ethanone iodide Openeye Name: 1-(4-methylsulfanylphenyl)-2-(4-pentylpyridin-1-ium-1-yl)ethanone iodide CAS Name: 1-[4-(methylthio)phenyl]-2-(4-pentyl-1-pyridin-1-iumyl)ethanone iodide IUPAC Name: 1-(4-methylsulfanylphenyl)-2-(4-pentylpyridin-1-ium-1-yl)ethanone iodide Traditional Name: 2-(4-amylpyridin-1-ium-1-yl)-1-[4-(methylthio)phenyl]ethanone iodide Formula: C19H24INOS MolecularWeight: 441.36943

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=[N+](C=C1)CC(=O)C2=CC=C(C=C2)SC.[I-]

Isomeric SMILES

CCCCCC1=CC=[N+](C=C1)CC(=O)C2=CC=C(C=C2)SC.[I-]

InChI

InChI=1S/C19H24NOS.HI/c1-3-4-5-6-16-11-13-20(14-12-16)15-19(21)17-7-9-18(22-2)10-8-17;/h7-14H,3-6,15H2,1-2H3;1H/q+1;/p-1