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trioctadecyl(propyl)azanium bromide

Systemtic Name:	trioctadecyl(propyl)azanium bromide
Openeye Name:	trioctadecyl(propyl)ammonium bromide
CAS Name:	trioctadecyl(propyl)ammonium bromide
IUPAC Name:	trioctadecyl(propyl)azanium bromide
Traditional Name:	propyl(tristearyl)ammonium bromide
Formula:	C₅₇H₁₁₈BrN
MolecularWeight:	897.45752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C57H118N.BrH/c1-5-9-12-15-18-21-24-27-30-33-36-39-42-45-48-51-55-58(54-8-4,56-52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-6-2)57-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-7-3;/h5-57H2,1-4H3;1H/q+1;/p-1

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