2-(4-dodecanoylphenoxy)ethyl-dimethyl-(phenylmethyl)azanium bromide

Systemtic Name: 2-(4-dodecanoylphenoxy)ethyl-dimethyl-(phenylmethyl)azanium bromide Openeye Name: benzyl-[2-(4-dodecanoylphenoxy)ethyl]-dimethyl-ammonium bromide CAS Name: dimethyl-[2-[4-(1-oxododecyl)phenoxy]ethyl]-(phenylmethyl)ammonium bromide IUPAC Name: benzyl-[2-(4-dodecanoylphenoxy)ethyl]-dimethylazanium bromide Traditional Name: benzyl-[2-(4-lauroylphenoxy)ethyl]-dimethyl-ammonium bromide Formula: C29H44BrNO2 MolecularWeight: 518.56916

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C1=CC=C(C=C1)OCC[N+](C)(C)CC2=CC=CC=C2.[Br-]

Isomeric SMILES

CCCCCCCCCCCC(=O)C1=CC=C(C=C1)OCC[N+](C)(C)CC2=CC=CC=C2.[Br-]

InChI

InChI=1S/C29H44NO2.BrH/c1-4-5-6-7-8-9-10-11-15-18-29(31)27-19-21-28(22-20-27)32-24-23-30(2,3)25-26-16-13-12-14-17-26;/h12-14,16-17,19-22H,4-11,15,18,23-25H2,1-3H3;1H/q+1;/p-1