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

Systemtic Name: 1-(4-methylsulfanylphenyl)-2-quinolin-1-ium-1-yl-ethanone iodide Openeye Name: 1-(4-methylsulfanylphenyl)-2-quinolin-1-ium-1-yl-ethanone iodide CAS Name: 1-[4-(methylthio)phenyl]-2-(1-quinolin-1-iumyl)ethanone iodide IUPAC Name: 1-(4-methylsulfanylphenyl)-2-quinolin-1-ium-1-ylethanone iodide Traditional Name: 1-[4-(methylthio)phenyl]-2-quinolin-1-ium-1-yl-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=CC=CC3=CC=CC=C32.[I-]

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)C[N+]2=CC=CC3=CC=CC=C32.[I-]

InChI

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