methyl(trioctyl)azanium; octadecanoate

Systemtic Name: methyl(trioctyl)azanium; octadecanoate Openeye Name: methyl(trioctyl)ammonium; octadecanoate CAS Name: methyl(trioctyl)ammonium; octadecanoate IUPAC Name: methyl(trioctyl)azanium; octadecanoate Traditional Name: methyl(trioctyl)ammonium; stearate Formula: C43H89NO2 MolecularWeight: 652.17226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H54N.C18H36O2/c1-5-8-11-14-17-20-23-26(4,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-25H2,1-4H3;2-17H2,1H3,(H,19,20)/q+1;/p-1