trihexadecyl(methyl)azanium bromide chloride

Systemtic Name: trihexadecyl(methyl)azanium bromide chloride Openeye Name: trihexadecyl(methyl)ammonium bromide chloride CAS Name: trihexadecyl(methyl)ammonium bromide chloride IUPAC Name: trihexadecyl(methyl)azanium bromide chloride Traditional Name: tricetyl(methyl)ammonium bromide chloride Formula: C98H204BrClN2 MolecularWeight: 1526.03876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC.[Cl-].[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC.[Cl-].[Br-]

InChI

InChI=1S/2C49H102N.BrH.ClH/c2*1-5-8-11-14-17-20-23-26-29-32-35-38-41-44-47-50(4,48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-2)49-46-43-40-37-34-31-28-25-22-19-16-13-10-7-3;;/h2*5-49H2,1-4H3;2*1H/q2*+1;;/p-2