2,3-dimethylheptan-2-ylazanium; 2-methylpropanoate

Systemtic Name: 2,3-dimethylheptan-2-ylazanium; 2-methylpropanoate Openeye Name: 2-methylpropanoate; 1,1,2-trimethylhexylammonium CAS Name: 2,3-dimethylheptan-2-ylammonium; 2-methylpropanoate IUPAC Name: 2,3-dimethylheptan-2-ylazanium; 2-methylpropanoate Traditional Name: 1,1,2-trimethylhexylammonium isobutyrate Formula: C13H29NO2 MolecularWeight: 231.37486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)C(C)(C)[NH3+].CC(C)C(=O)[O-]

Isomeric SMILES

CCCCC(C)C(C)(C)[NH3+].CC(C)C(=O)[O-]

InChI

InChI=1S/C9H21N.C4H8O2/c1-5-6-7-8(2)9(3,4)10;1-3(2)4(5)6/h8H,5-7,10H2,1-4H3;3H,1-2H3,(H,5,6)