1-methyl-2-phenylsulfanyl-quinolin-1-ium iodide

Systemtic Name: 1-methyl-2-phenylsulfanyl-quinolin-1-ium iodide Openeye Name: 1-methyl-2-phenylsulfanyl-quinolin-1-ium iodide CAS Name: 1-methyl-2-(phenylthio)quinolin-1-ium iodide IUPAC Name: 1-methyl-2-phenylsulfanylquinolin-1-ium iodide Traditional Name: 1-methyl-2-(phenylthio)quinolin-1-ium iodide Formula: C16H14INS MolecularWeight: 379.25853

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=CC2=CC=CC=C21)SC3=CC=CC=C3.[I-]

Isomeric SMILES

C[N+]1=C(C=CC2=CC=CC=C21)SC3=CC=CC=C3.[I-]

InChI

InChI=1S/C16H14NS.HI/c1-17-15-10-6-5-7-13(15)11-12-16(17)18-14-8-3-2-4-9-14;/h2-12H,1H3;1H/q+1;/p-1