2-methyl-1-propan-2-ylsulfanyl-isoquinolin-2-ium iodide

Systemtic Name: 2-methyl-1-propan-2-ylsulfanyl-isoquinolin-2-ium iodide Openeye Name: 1-isopropylsulfanyl-2-methyl-isoquinolin-2-ium iodide CAS Name: 2-methyl-1-(propan-2-ylthio)isoquinolin-2-ium iodide IUPAC Name: 2-methyl-1-propan-2-ylsulfanylisoquinolin-2-ium iodide Traditional Name: 1-(isopropylthio)-2-methyl-isoquinolin-2-ium iodide Formula: C13H16INS MolecularWeight: 345.24231

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=[N+](C=CC2=CC=CC=C21)C.[I-]

Isomeric SMILES

CC(C)SC1=[N+](C=CC2=CC=CC=C21)C.[I-]

InChI

InChI=1S/C13H16NS.HI/c1-10(2)15-13-12-7-5-4-6-11(12)8-9-14(13)3;/h4-10H,1-3H3;1H/q+1;/p-1