2-(2-ethylhexanoyloxy)ethyl-dimethyl-(phenylmethyl)azanium chloride

Systemtic Name: 2-(2-ethylhexanoyloxy)ethyl-dimethyl-(phenylmethyl)azanium chloride Openeye Name: benzyl-[2-(2-ethylhexanoyloxy)ethyl]-dimethyl-ammonium chloride CAS Name: 2-(2-ethyl-1-oxohexoxy)ethyl-dimethyl-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-[2-(2-ethylhexanoyloxy)ethyl]-dimethylazanium chloride Traditional Name: benzyl-[2-(2-ethylhexanoyloxy)ethyl]-dimethyl-ammonium chloride Formula: C19H32ClNO2 MolecularWeight: 341.91588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H32NO2.ClH/c1-5-7-13-18(6-2)19(21)22-15-14-20(3,4)16-17-11-9-8-10-12-17;/h8-12,18H,5-7,13-16H2,1-4H3;1H/q+1;/p-1