1-(2-hexadecylsulfanylethyl)-1-methyl-pyrrolidin-1-ium iodide

Systemtic Name: 1-(2-hexadecylsulfanylethyl)-1-methyl-pyrrolidin-1-ium iodide Openeye Name: 1-(2-hexadecylsulfanylethyl)-1-methyl-pyrrolidin-1-ium iodide CAS Name: 1-[2-(hexadecylthio)ethyl]-1-methylpyrrolidin-1-ium iodide IUPAC Name: 1-(2-hexadecylsulfanylethyl)-1-methylpyrrolidin-1-ium iodide Traditional Name: 1-[2-(cetylthio)ethyl]-1-methyl-pyrrolidin-1-ium iodide Formula: C23H48INS MolecularWeight: 497.60339

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCC[N+]1(CCCC1)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCSCC[N+]1(CCCC1)C.[I-]

InChI

InChI=1S/C23H48NS.HI/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-22-25-23-21-24(2)19-16-17-20-24;/h3-23H2,1-2H3;1H/q+1;/p-1