1-(2-hexadecylsulfanylpropyl)-1-methyl-piperazin-1-ium bromide

Systemtic Name: 1-(2-hexadecylsulfanylpropyl)-1-methyl-piperazin-1-ium bromide Openeye Name: 1-(2-hexadecylsulfanylpropyl)-1-methyl-piperazin-1-ium bromide CAS Name: 1-[2-(hexadecylthio)propyl]-1-methylpiperazin-1-ium bromide IUPAC Name: 1-(2-hexadecylsulfanylpropyl)-1-methylpiperazin-1-ium bromide Traditional Name: 1-[2-(cetylthio)propyl]-1-methyl-piperazin-1-ium bromide Formula: C24H51BrN2S MolecularWeight: 479.64414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC(C)C[N+]1(CCNCC1)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCSC(C)C[N+]1(CCNCC1)C.[Br-]

InChI

InChI=1S/C24H51N2S.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27-24(2)23-26(3)20-18-25-19-21-26;/h24-25H,4-23H2,1-3H3;1H/q+1;/p-1