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5-[docosyl(dimethyl)azaniumyl]-2-methylidene-pentanoate bromide

5-[docosyl(dimethyl)azaniumyl]-2-methylidene-pentanoate bromide

Systemtic Name:5-[docosyl(dimethyl)azaniumyl]-2-methylidene-pentanoate bromide
Openeye Name:5-[docosyl(dimethyl)ammonio]-2-methylene-pentanoate bromide
CAS Name:5-[docosyl(dimethyl)ammonio]-2-methylenepentanoate bromide
IUPAC Name:5-[docosyl(dimethyl)azaniumyl]-2-methylidenepentanoate bromide
Traditional Name:2-[3-[behenyl(dimethyl)ammonio]propyl]acrylate bromide
Formula: C30H59BrNO2-
MolecularWeight: 545.69896
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)CCCC(=C)C(=O)[O-].[Br-]


Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)CCCC(=C)C(=O)[O-].[Br-]


InChI

InChI=1S/C30H59NO2.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-31(3,4)28-25-26-29(2)30(32)33;/h2,5-28H2,1,3-4H3;1H/p-1


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