tert-butylazanium; (3S)-3-cyano-5-methyl-hexanoate

Systemtic Name: tert-butylazanium; (3S)-3-cyano-5-methyl-hexanoate Openeye Name: tert-butylammonium; (3S)-3-cyano-5-methyl-hexanoate CAS Name: tert-butylammonium; (3S)-3-cyano-5-methylhexanoate IUPAC Name: tert-butylazanium; (3S)-3-cyano-5-methylhexanoate Traditional Name: tert-butylammonium; (3S)-3-cyano-5-methyl-hexanoate Formula: C12H24N2O2 MolecularWeight: 228.33116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C[C@@H](CC(=O)[O-])C#N.CC(C)(C)[NH3+]

InChI

InChI=1S/C8H13NO2.C4H11N/c1-6(2)3-7(5-9)4-8(10)11;1-4(2,3)5/h6-7H,3-4H2,1-2H3,(H,10,11);5H2,1-3H3/t7-;/m0./s1