methyl-tri(nonyl)azanium ethanoate

Systemtic Name: methyl-tri(nonyl)azanium ethanoate Openeye Name: methyl-tri(nonyl)ammonium acetate CAS Name: methyl-tri(nonyl)ammonium acetate IUPAC Name: methyl-tri(nonyl)azanium acetate Traditional Name: methyl-tri(nonyl)ammonium acetate Formula: C30H63NO2 MolecularWeight: 469.82672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H60N.C2H4O2/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/h5-28H2,1-4H3;1H3,(H,3,4)/q+1;/p-1