methyl(trioctyl)azanium; octanoate

Systemtic Name: methyl(trioctyl)azanium; octanoate Openeye Name: methyl(trioctyl)ammonium; octanoate CAS Name: methyl(trioctyl)ammonium; octanoate IUPAC Name: methyl(trioctyl)azanium; octanoate Traditional Name: caprylate; methyl(trioctyl)ammonium Formula: C33H69NO2 MolecularWeight: 511.90646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H54N.C8H16O2/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/h5-25H2,1-4H3;2-7H2,1H3,(H,9,10)/q+1;/p-1