2-(3-methylisoquinolin-2-ium-2-yl)-1-(4-methylsulfanylphenyl)ethanone iodide

Systemtic Name: 2-(3-methylisoquinolin-2-ium-2-yl)-1-(4-methylsulfanylphenyl)ethanone iodide Openeye Name: 2-(3-methylisoquinolin-2-ium-2-yl)-1-(4-methylsulfanylphenyl)ethanone iodide CAS Name: 2-(3-methyl-2-isoquinolin-2-iumyl)-1-[4-(methylthio)phenyl]ethanone iodide IUPAC Name: 2-(3-methylisoquinolin-2-ium-2-yl)-1-(4-methylsulfanylphenyl)ethanone iodide Traditional Name: 2-(3-methylisoquinolin-2-ium-2-yl)-1-[4-(methylthio)phenyl]ethanone iodide Formula: C19H18INOS MolecularWeight: 435.32179

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2C=[N+]1CC(=O)C3=CC=C(C=C3)SC.[I-]

Isomeric SMILES

CC1=CC2=CC=CC=C2C=[N+]1CC(=O)C3=CC=C(C=C3)SC.[I-]

InChI

InChI=1S/C19H18NOS.HI/c1-14-11-16-5-3-4-6-17(16)12-20(14)13-19(21)15-7-9-18(22-2)10-8-15;/h3-12H,13H2,1-2H3;1H/q+1;/p-1