methyl-tri(nonyl)azanium; octanoate

Systemtic Name: methyl-tri(nonyl)azanium; octanoate Openeye Name: methyl-tri(nonyl)ammonium; octanoate CAS Name: methyl-tri(nonyl)ammonium; octanoate IUPAC Name: methyl-tri(nonyl)azanium; octanoate Traditional Name: caprylate; methyl-tri(nonyl)ammonium Formula: C36H75NO2 MolecularWeight: 553.9862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H60N.C8H16O2/c1-5-8-11-14-17-20-23-26-29(4,27-24-21-18-15-12-9-6-2)28-25-22-19-16-13-10-7-3;1-2-3-4-5-6-7-8(9)10/h5-28H2,1-4H3;2-7H2,1H3,(H,9,10)/q+1;/p-1