(2-dodecylphenyl)methyl-dimethyl-(2-octadecanoyloxyethyl)azanium chloride

Systemtic Name: (2-dodecylphenyl)methyl-dimethyl-(2-octadecanoyloxyethyl)azanium chloride Openeye Name: (2-dodecylphenyl)methyl-dimethyl-(2-octadecanoyloxyethyl)ammonium chloride CAS Name: (2-dodecylphenyl)methyl-dimethyl-[2-(1-oxooctadecoxy)ethyl]ammonium chloride IUPAC Name: (2-dodecylphenyl)methyl-dimethyl-(2-octadecanoyloxyethyl)azanium chloride Traditional Name: (2-laurylbenzyl)-dimethyl-(2-stearoyloxyethyl)ammonium chloride Formula: C41H76ClNO2 MolecularWeight: 650.50064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC[N+](C)(C)CC1=CC=CC=C1CCCCCCCCCCCC.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC[N+](C)(C)CC1=CC=CC=C1CCCCCCCCCCCC.[Cl-]

InChI

InChI=1S/C41H76NO2.ClH/c1-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-35-41(43)44-37-36-42(3,4)38-40-34-31-30-33-39(40)32-28-26-24-22-16-14-12-10-8-6-2;/h30-31,33-34H,5-29,32,35-38H2,1-4H3;1H/q+1;/p-1