3-(2-hexadecylsulfanylethyl)-1,3-thiazol-3-ium iodide

Systemtic Name: 3-(2-hexadecylsulfanylethyl)-1,3-thiazol-3-ium iodide Openeye Name: 3-(2-hexadecylsulfanylethyl)thiazol-3-ium iodide CAS Name: 3-[2-(hexadecylthio)ethyl]thiazol-3-ium iodide IUPAC Name: 3-(2-hexadecylsulfanylethyl)-1,3-thiazol-3-ium iodide Traditional Name: 3-[2-(cetylthio)ethyl]thiazol-3-ium iodide Formula: C21H40INS2 MolecularWeight: 497.58347

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCC[N+]1=CSC=C1.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCSCC[N+]1=CSC=C1.[I-]

InChI

InChI=1S/C21H40NS2.HI/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-23-19-16-22-17-20-24-21-22;/h17,20-21H,2-16,18-19H2,1H3;1H/q+1;/p-1