2-(1-methylsulfanylethylidene)-3,4-dihydro-1H-isoquinolin-2-ium iodide

Systemtic Name: 2-(1-methylsulfanylethylidene)-3,4-dihydro-1H-isoquinolin-2-ium iodide Openeye Name: 2-(1-methylsulfanylethylidene)-3,4-dihydro-1H-isoquinolin-2-ium iodide CAS Name: 2-[1-(methylthio)ethylidene]-3,4-dihydro-1H-isoquinolin-2-ium iodide IUPAC Name: 2-(1-methylsulfanylethylidene)-3,4-dihydro-1H-isoquinolin-2-ium iodide Traditional Name: 2-[1-(methylthio)ethylidene]-3,4-dihydro-1H-isoquinolin-2-ium iodide Formula: C12H16INS MolecularWeight: 333.23161

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Descriptors Computed from Structure

Canonical SMILES:

CC(=[N+]1CCC2=CC=CC=C2C1)SC.[I-]

Isomeric SMILES

CC(=[N+]1CCC2=CC=CC=C2C1)SC.[I-]

InChI

InChI=1S/C12H16NS.HI/c1-10(14-2)13-8-7-11-5-3-4-6-12(11)9-13;/h3-6H,7-9H2,1-2H3;1H/q+1;/p-1