2,3-dimethylheptan-2-ylazanium; 2,2-dimethylpropanoate

Systemtic Name: 2,3-dimethylheptan-2-ylazanium; 2,2-dimethylpropanoate Openeye Name: 2,2-dimethylpropanoate; 1,1,2-trimethylhexylammonium CAS Name: 2,3-dimethylheptan-2-ylammonium; 2,2-dimethylpropanoate IUPAC Name: 2,3-dimethylheptan-2-ylazanium; 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionate; 1,1,2-trimethylhexylammonium Formula: C14H31NO2 MolecularWeight: 245.40144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H21N.C5H10O2/c1-5-6-7-8(2)9(3,4)10;1-5(2,3)4(6)7/h8H,5-7,10H2,1-4H3;1-3H3,(H,6,7)