1-(3-hexadecylsulfanyl-2-methoxy-propyl)-1-methyl-piperazin-1-ium iodide

Systemtic Name: 1-(3-hexadecylsulfanyl-2-methoxy-propyl)-1-methyl-piperazin-1-ium iodide Openeye Name: 1-(3-hexadecylsulfanyl-2-methoxy-propyl)-1-methyl-piperazin-1-ium iodide CAS Name: 1-[3-(hexadecylthio)-2-methoxypropyl]-1-methylpiperazin-1-ium iodide IUPAC Name: 1-(3-hexadecylsulfanyl-2-methoxypropyl)-1-methylpiperazin-1-ium iodide Traditional Name: 1-[3-(cetylthio)-2-methoxy-propyl]-1-methyl-piperazin-1-ium iodide Formula: C25H53IN2OS MolecularWeight: 556.67059

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H53N2OS.HI/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-29-24-25(28-3)23-27(2)20-18-26-19-21-27;/h25-26H,4-24H2,1-3H3;1H/q+1;/p-1