8-(2-butylsulfanylethoxy)-1-methyl-quinolin-1-ium iodide

Systemtic Name: 8-(2-butylsulfanylethoxy)-1-methyl-quinolin-1-ium iodide Openeye Name: 8-(2-butylsulfanylethoxy)-1-methyl-quinolin-1-ium iodide CAS Name: 8-[2-(butylthio)ethoxy]-1-methylquinolin-1-ium iodide IUPAC Name: 8-(2-butylsulfanylethoxy)-1-methylquinolin-1-ium iodide Traditional Name: 8-[2-(butylthio)ethoxy]-1-methyl-quinolin-1-ium iodide Formula: C16H22INOS MolecularWeight: 403.32145

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCCOC1=CC=CC2=C1[N+](=CC=C2)C.[I-]

Isomeric SMILES

CCCCSCCOC1=CC=CC2=C1[N+](=CC=C2)C.[I-]

InChI

InChI=1S/C16H22NOS.HI/c1-3-4-12-19-13-11-18-15-9-5-7-14-8-6-10-17(2)16(14)15;/h5-10H,3-4,11-13H2,1-2H3;1H/q+1;/p-1