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

Systemtic Name: 2-(4-dodecanoylphenoxy)ethyl-dimethyl-(phenylmethyl)azanium chloride Openeye Name: benzyl-[2-(4-dodecanoylphenoxy)ethyl]-dimethyl-ammonium chloride CAS Name: dimethyl-[2-[4-(1-oxododecyl)phenoxy]ethyl]-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-[2-(4-dodecanoylphenoxy)ethyl]-dimethylazanium chloride Traditional Name: benzyl-[2-(4-lauroylphenoxy)ethyl]-dimethyl-ammonium chloride Formula: C29H44ClNO2 MolecularWeight: 474.11816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H44NO2.ClH/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