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

Systemtic Name: 2-isoquinolin-2-ium-2-yl-1-(4-methylsulfanylphenyl)ethanone Openeye Name: 2-isoquinolin-2-ium-2-yl-1-(4-methylsulfanylphenyl)ethanone CAS Name: 2-(2-isoquinolin-2-iumyl)-1-[4-(methylthio)phenyl]ethanone IUPAC Name: 2-isoquinolin-2-ium-2-yl-1-(4-methylsulfanylphenyl)ethanone Traditional Name: 2-isoquinolin-2-ium-2-yl-1-[4-(methylthio)phenyl]ethanone Formula: C18H16NOS+ MolecularWeight: 294.39074

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H16NOS/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/q+1