2-methylpropanoate; methyl-tri(nonyl)azanium

Systemtic Name: 2-methylpropanoate; methyl-tri(nonyl)azanium Openeye Name: 2-methylpropanoate; methyl-tri(nonyl)ammonium CAS Name: 2-methylpropanoate; methyl-tri(nonyl)ammonium IUPAC Name: 2-methylpropanoate; methyl-tri(nonyl)azanium Traditional Name: methyl-tri(nonyl)ammonium isobutyrate Formula: C32H67NO2 MolecularWeight: 497.87988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H60N.C4H8O2/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;1-3(2)4(5)6/h5-28H2,1-4H3;3H,1-2H3,(H,5,6)/q+1;/p-1