dimethyl-(2-octadecoxy-2-oxidanylidene-ethyl)-(phenylmethyl)azanium chloride

Systemtic Name: dimethyl-(2-octadecoxy-2-oxidanylidene-ethyl)-(phenylmethyl)azanium chloride Openeye Name: benzyl-dimethyl-(2-octadecoxy-2-oxo-ethyl)ammonium chloride CAS Name: dimethyl-(2-octadecoxy-2-oxoethyl)-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-dimethyl-(2-octadecoxy-2-oxoethyl)azanium chloride Traditional Name: benzyl-(2-keto-2-stearyloxy-ethyl)-dimethyl-ammonium chloride Formula: C29H52ClNO2 MolecularWeight: 482.18168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C[N+](C)(C)CC1=CC=CC=C1.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C[N+](C)(C)CC1=CC=CC=C1.[Cl-]

InChI

InChI=1S/C29H52NO2.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-32-29(31)27-30(2,3)26-28-23-20-19-21-24-28;/h19-21,23-24H,4-18,22,25-27H2,1-3H3;1H/q+1;/p-1