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methyl(trioctadecyl)azanium bromide

methyl(trioctadecyl)azanium bromide

Systemtic Name:methyl(trioctadecyl)azanium bromide
Openeye Name:methyl(trioctadecyl)ammonium bromide
CAS Name:methyl(trioctadecyl)ammonium bromide
IUPAC Name:methyl(trioctadecyl)azanium bromide
Traditional Name:methyl(tristearyl)ammonium bromide
Formula: C55H114BrN
MolecularWeight: 869.40436
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC.[Br-]


Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC.[Br-]


InChI

InChI=1S/C55H114N.BrH/c1-5-8-11-14-17-20-23-26-29-32-35-38-41-44-47-50-53-56(4,54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-2)55-52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-7-3;/h5-55H2,1-4H3;1H/q+1;/p-1


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