decanoate; methyl-tri(nonyl)azanium

Systemtic Name: decanoate; methyl-tri(nonyl)azanium Openeye Name: decanoate; methyl-tri(nonyl)ammonium CAS Name: decanoate; methyl-tri(nonyl)ammonium IUPAC Name: decanoate; methyl-tri(nonyl)azanium Traditional Name: caprate; methyl-tri(nonyl)ammonium Formula: C38H79NO2 MolecularWeight: 582.03936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H60N.C10H20O2/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(11)12/h5-28H2,1-4H3;2-9H2,1H3,(H,11,12)/q+1;/p-1