2-methyl-1-methylsulfanyl-isoquinolin-2-ium

Systemtic Name: 2-methyl-1-methylsulfanyl-isoquinolin-2-ium Openeye Name: 2-methyl-1-methylsulfanyl-isoquinolin-2-ium CAS Name: 2-methyl-1-(methylthio)isoquinolin-2-ium IUPAC Name: 2-methyl-1-methylsulfanylisoquinolin-2-ium Traditional Name: 2-methyl-1-(methylthio)isoquinolin-2-ium Formula: C11H12NS+ MolecularWeight: 190.28468

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C2=CC=CC=C2C=C1)SC

Isomeric SMILES

C[N+]1=C(C2=CC=CC=C2C=C1)SC

InChI

InChI=1S/C11H12NS/c1-12-8-7-9-5-3-4-6-10(9)11(12)13-2/h3-8H,1-2H3/q+1