docosyl(trimethyl)azanium; octadecanoate

Systemtic Name: docosyl(trimethyl)azanium; octadecanoate Openeye Name: docosyl(trimethyl)ammonium; octadecanoate CAS Name: docosyl(trimethyl)ammonium; octadecanoate IUPAC Name: docosyl(trimethyl)azanium; octadecanoate Traditional Name: behenyl(trimethyl)ammonium; stearate Formula: C43H89NO2 MolecularWeight: 652.17226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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