2-chloroethyl-(2-dodecanoyloxyethyl)-dimethyl-azanium iodide

Systemtic Name: 2-chloroethyl-(2-dodecanoyloxyethyl)-dimethyl-azanium iodide Openeye Name: 2-chloroethyl-(2-dodecanoyloxyethyl)-dimethyl-ammonium iodide CAS Name: 2-chloroethyl-dimethyl-[2-(1-oxododecoxy)ethyl]ammonium iodide IUPAC Name: 2-chloroethyl-(2-dodecanoyloxyethyl)-dimethylazanium iodide Traditional Name: 2-chloroethyl-(2-lauroyloxyethyl)-dimethyl-ammonium iodide Formula: C18H37ClINO2 MolecularWeight: 461.84935

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OCC[N+](C)(C)CCCl.[I-]

Isomeric SMILES

CCCCCCCCCCCC(=O)OCC[N+](C)(C)CCCl.[I-]

InChI

InChI=1S/C18H37ClNO2.HI/c1-4-5-6-7-8-9-10-11-12-13-18(21)22-17-16-20(2,3)15-14-19;/h4-17H2,1-3H3;1H/q+1;/p-1