dihexadecyl(dimethyl)azanium; octadecanoate

Systemtic Name: dihexadecyl(dimethyl)azanium; octadecanoate Openeye Name: dihexadecyl(dimethyl)ammonium; octadecanoate CAS Name: dihexadecyl(dimethyl)ammonium; octadecanoate IUPAC Name: dihexadecyl(dimethyl)azanium; octadecanoate Traditional Name: dicetyl(dimethyl)ammonium; stearate Formula: C52H107NO2 MolecularWeight: 778.41148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H72N.C18H36O2/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(3,4)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/h5-34H2,1-4H3;2-17H2,1H3,(H,19,20)/q+1;/p-1