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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=[N+](C2=CC=CC=C2C=C1)C.[I-]

Isomeric SMILES

CC(C)SC1=[N+](C2=CC=CC=C2C=C1)C.[I-]

InChI

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