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

Systemtic Name: 2-isoquinolin-2-ium-2-yl-1-(4-methylsulfanylphenyl)ethanone iodide Openeye Name: 2-isoquinolin-2-ium-2-yl-1-(4-methylsulfanylphenyl)ethanone iodide CAS Name: 2-(2-isoquinolin-2-iumyl)-1-[4-(methylthio)phenyl]ethanone iodide IUPAC Name: 2-isoquinolin-2-ium-2-yl-1-(4-methylsulfanylphenyl)ethanone iodide Traditional Name: 2-isoquinolin-2-ium-2-yl-1-[4-(methylthio)phenyl]ethanone iodide Formula: C18H16INOS MolecularWeight: 421.29521

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)C[N+]2=CC3=CC=CC=C3C=C2.[I-]

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)C[N+]2=CC3=CC=CC=C3C=C2.[I-]

InChI

InChI=1S/C18H16NOS.HI/c1-21-17-8-6-15(7-9-17)18(20)13-19-11-10-14-4-2-3-5-16(14)12-19;/h2-12H,13H2,1H3;1H/q+1;/p-1