2-(2-methylisoquinolin-2-ium-3-yl)ethanedithioic acid

Systemtic Name: 2-(2-methylisoquinolin-2-ium-3-yl)ethanedithioic acid Openeye Name: 2-(2-methylisoquinolin-2-ium-3-yl)ethanedithioic acid CAS Name: 2-(2-methyl-3-isoquinolin-2-iumyl)ethanedithioic acid IUPAC Name: 2-(2-methylisoquinolin-2-ium-3-yl)ethanedithioic acid Traditional Name: 2-(2-methylisoquinolin-2-ium-3-yl)ethanedithioic acid Formula: C12H12NS2+ MolecularWeight: 234.36038

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC2=CC=CC=C2C=C1CC(=S)S

Isomeric SMILES

C[N+]1=CC2=CC=CC=C2C=C1CC(=S)S

InChI

InChI=1S/C12H11NS2/c1-13-8-10-5-3-2-4-9(10)6-11(13)7-12(14)15/h2-6,8H,7H2,1H3/p+1