dimethyl(dioctadecyl)azanium; octadecanoate

Systemtic Name: dimethyl(dioctadecyl)azanium; octadecanoate Openeye Name: dimethyl(dioctadecyl)ammonium; octadecanoate CAS Name: dimethyl(dioctadecyl)ammonium; octadecanoate IUPAC Name: dimethyl(dioctadecyl)azanium; octadecanoate Traditional Name: dimethyl(distearyl)ammonium; stearate Formula: C56H115NO2 MolecularWeight: 834.5178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCC(=O)[O-]

InChI

InChI=1S/C38H80N.C18H36O2/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(3,4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-38H2,1-4H3;2-17H2,1H3,(H,19,20)/q+1;/p-1