1-(1-hexadecylsulfanylpropan-2-yl)-3-methyl-imidazol-3-ium bromide

Systemtic Name: 1-(1-hexadecylsulfanylpropan-2-yl)-3-methyl-imidazol-3-ium bromide Openeye Name: 1-(2-hexadecylsulfanyl-1-methyl-ethyl)-3-methyl-imidazol-3-ium bromide CAS Name: 1-[1-(hexadecylthio)propan-2-yl]-3-methylimidazol-3-ium bromide IUPAC Name: 1-(1-hexadecylsulfanylpropan-2-yl)-3-methylimidazol-3-ium bromide Traditional Name: 1-[2-(cetylthio)-1-methyl-ethyl]-3-methyl-imidazol-3-ium bromide Formula: C23H45BrN2S MolecularWeight: 461.5858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCC(C)N1C=C[N+](=C1)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCSCC(C)N1C=C[N+](=C1)C.[Br-]

InChI

InChI=1S/C23H45N2S.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-21-23(2)25-19-18-24(3)22-25;/h18-19,22-23H,4-17,20-21H2,1-3H3;1H/q+1;/p-1