1-methyl-7-phenethylsulfanyl-quinolin-1-ium iodide

Systemtic Name: 1-methyl-7-phenethylsulfanyl-quinolin-1-ium iodide Openeye Name: 1-methyl-7-phenethylsulfanyl-quinolin-1-ium iodide CAS Name: 1-methyl-7-(phenethylthio)quinolin-1-ium iodide IUPAC Name: 1-methyl-7-phenethylsulfanylquinolin-1-ium iodide Traditional Name: 1-methyl-7-(phenethylthio)quinolin-1-ium iodide Formula: C18H18INS MolecularWeight: 407.31169

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC2=C1C=C(C=C2)SCCC3=CC=CC=C3.[I-]

Isomeric SMILES

C[N+]1=CC=CC2=C1C=C(C=C2)SCCC3=CC=CC=C3.[I-]

InChI

InChI=1S/C18H18NS.HI/c1-19-12-5-8-16-9-10-17(14-18(16)19)20-13-11-15-6-3-2-4-7-15;/h2-10,12,14H,11,13H2,1H3;1H/q+1;/p-1