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dihexadecyl-methyl-(phenylmethyl)azanium bromide

dihexadecyl-methyl-(phenylmethyl)azanium bromide

Systemtic Name:dihexadecyl-methyl-(phenylmethyl)azanium bromide
Openeye Name:benzyl-dihexadecyl-methyl-ammonium bromide
CAS Name:dihexadecyl-methyl-(phenylmethyl)ammonium bromide
IUPAC Name:benzyl-dihexadecyl-methylazanium bromide
Traditional Name:benzyl-dicetyl-methyl-ammonium bromide
Formula: C40H76BrN
MolecularWeight: 650.94214
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCCCCC)CC1=CC=CC=C1.[Br-]


Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCCCCC)CC1=CC=CC=C1.[Br-]


InChI

InChI=1S/C40H76N.BrH/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-33-37-41(3,39-40-35-31-30-32-36-40)38-34-29-27-25-23-21-19-17-15-13-11-9-7-5-2;/h30-32,35-36H,4-29,33-34,37-39H2,1-3H3;1H/q+1;/p-1


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