2-cyanoethyl-dimethyl-octadecyl-azanium bromide

Systemtic Name: 2-cyanoethyl-dimethyl-octadecyl-azanium bromide Openeye Name: 2-cyanoethyl-dimethyl-octadecyl-ammonium bromide CAS Name: 2-cyanoethyl-dimethyl-octadecylammonium bromide IUPAC Name: 2-cyanoethyl-dimethyl-octadecylazanium bromide Traditional Name: 2-cyanoethyl-dimethyl-stearyl-ammonium bromide Formula: C23H47BrN2 MolecularWeight: 431.53668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](C)(C)CCC#N.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](C)(C)CCC#N.[Br-]

InChI

InChI=1S/C23H47N2.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25(2,3)23-20-21-24;/h4-20,22-23H2,1-3H3;1H/q+1;/p-1