tert-butylazanium; (E)-3-cyano-5-methyl-hex-3-enoate

Systemtic Name: tert-butylazanium; (E)-3-cyano-5-methyl-hex-3-enoate Openeye Name: tert-butylammonium; (E)-3-cyano-5-methyl-hex-3-enoate CAS Name: tert-butylammonium; (E)-3-cyano-5-methyl-3-hexenoate IUPAC Name: tert-butylazanium; (E)-3-cyano-5-methylhex-3-enoate Traditional Name: tert-butylammonium; (E)-3-cyano-5-methyl-hex-3-enoate Formula: C12H22N2O2 MolecularWeight: 226.31528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H11NO2.C4H11N/c1-6(2)3-7(5-9)4-8(10)11;1-4(2,3)5/h3,6H,4H2,1-2H3,(H,10,11);5H2,1-3H3/b7-3+;