1-methyl-7-phenylsulfanyl-quinolin-1-ium iodide

Systemtic Name: 1-methyl-7-phenylsulfanyl-quinolin-1-ium iodide Openeye Name: 1-methyl-7-phenylsulfanyl-quinolin-1-ium iodide CAS Name: 1-methyl-7-(phenylthio)quinolin-1-ium iodide IUPAC Name: 1-methyl-7-phenylsulfanylquinolin-1-ium iodide Traditional Name: 1-methyl-7-(phenylthio)quinolin-1-ium iodide Formula: C16H14INS MolecularWeight: 379.25853

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC2=C1C=C(C=C2)SC3=CC=CC=C3.[I-]

Isomeric SMILES

C[N+]1=CC=CC2=C1C=C(C=C2)SC3=CC=CC=C3.[I-]

InChI

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