1-hexyl-2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]pyridin-1-ium iodide

Systemtic Name: 1-hexyl-2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]pyridin-1-ium iodide Openeye Name: 1-hexyl-2-[(E)-2-(4-methylsulfanylphenyl)vinyl]pyridin-1-ium iodide CAS Name: 1-hexyl-2-[(E)-2-[4-(methylthio)phenyl]ethenyl]pyridin-1-ium iodide IUPAC Name: 1-hexyl-2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]pyridin-1-ium iodide Traditional Name: 1-hexyl-2-[(E)-2-[4-(methylthio)phenyl]vinyl]pyridin-1-ium iodide Formula: C20H26INS MolecularWeight: 439.39661

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCC[N+]1=CC=CC=C1/C=C/C2=CC=C(C=C2)SC.[I-]

InChI

InChI=1S/C20H26NS.HI/c1-3-4-5-7-16-21-17-8-6-9-19(21)13-10-18-11-14-20(22-2)15-12-18;/h6,8-15,17H,3-5,7,16H2,1-2H3;1H/q+1;/p-1/b13-10+;