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3-azanylpropyl-dihexadecyl-methyl-azanium bromide

3-azanylpropyl-dihexadecyl-methyl-azanium bromide

Systemtic Name:3-azanylpropyl-dihexadecyl-methyl-azanium bromide
Openeye Name:3-aminopropyl-dihexadecyl-methyl-ammonium bromide
CAS Name:3-aminopropyl-dihexadecyl-methylammonium bromide
IUPAC Name:3-aminopropyl-dihexadecyl-methylazanium bromide
Traditional Name:3-aminopropyl-dicetyl-methyl-ammonium bromide
Formula: C36H77BrN2
MolecularWeight: 617.91398
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C36H77N2.BrH/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-34-38(3,36-32-33-37)35-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;/h4-37H2,1-3H3;1H/q+1;/p-1


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