1-(3-octadecylsulfanylpropyl)pyridin-1-ium iodide

Systemtic Name: 1-(3-octadecylsulfanylpropyl)pyridin-1-ium iodide Openeye Name: 1-(3-octadecylsulfanylpropyl)pyridin-1-ium iodide CAS Name: 1-[3-(octadecylthio)propyl]pyridin-1-ium iodide IUPAC Name: 1-(3-octadecylsulfanylpropyl)pyridin-1-ium iodide Traditional Name: 1-[3-(stearylthio)propyl]pyridin-1-ium iodide Formula: C26H48INS MolecularWeight: 533.63549

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSCCC[N+]1=CC=CC=C1.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSCCC[N+]1=CC=CC=C1.[I-]

InChI

InChI=1S/C26H48NS.HI/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-28-26-21-24-27-22-18-17-19-23-27;/h17-19,22-23H,2-16,20-21,24-26H2,1H3;1H/q+1;/p-1