2-isoquinolin-2-ium-2-yl-N-(2-methylsulfanylphenyl)ethanamide

Systemtic Name: 2-isoquinolin-2-ium-2-yl-N-(2-methylsulfanylphenyl)ethanamide Openeye Name: 2-isoquinolin-2-ium-2-yl-N-(2-methylsulfanylphenyl)acetamide CAS Name: 2-(2-isoquinolin-2-iumyl)-N-[2-(methylthio)phenyl]acetamide IUPAC Name: 2-isoquinolin-2-ium-2-yl-N-(2-methylsulfanylphenyl)acetamide Traditional Name: 2-isoquinolin-2-ium-2-yl-N-[2-(methylthio)phenyl]acetamide Formula: C18H17N2OS+ MolecularWeight: 309.40538

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)C[N+]2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)C[N+]2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C18H16N2OS/c1-22-17-9-5-4-8-16(17)19-18(21)13-20-11-10-14-6-2-3-7-15(14)12-20/h2-12H,13H2,1H3/p+1