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

Systemtic Name: 1-(2-hexadecylsulfanylethyl)-1-methyl-piperazin-1-ium iodide Openeye Name: 1-(2-hexadecylsulfanylethyl)-1-methyl-piperazin-1-ium iodide CAS Name: 1-[2-(hexadecylthio)ethyl]-1-methylpiperazin-1-ium iodide IUPAC Name: 1-(2-hexadecylsulfanylethyl)-1-methylpiperazin-1-ium iodide Traditional Name: 1-[2-(cetylthio)ethyl]-1-methyl-piperazin-1-ium iodide Formula: C23H49IN2S MolecularWeight: 512.61803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCC[N+]1(CCNCC1)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCSCC[N+]1(CCNCC1)C.[I-]

InChI

InChI=1S/C23H49N2S.HI/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-26-23-21-25(2)19-17-24-18-20-25;/h24H,3-23H2,1-2H3;1H/q+1;/p-1