octadecanoate; trimethyl(octadecyl)azanium

Systemtic Name: octadecanoate; trimethyl(octadecyl)azanium Openeye Name: octadecanoate; trimethyl(octadecyl)ammonium CAS Name: octadecanoate; trimethyl(octadecyl)ammonium IUPAC Name: octadecanoate; trimethyl(octadecyl)azanium Traditional Name: stearate; trimethyl(stearyl)ammonium Formula: C39H81NO2 MolecularWeight: 596.06594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H46N.C18H36O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-21H2,1-4H3;2-17H2,1H3,(H,19,20)/q+1;/p-1