6,6-bis(bromanyl)-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate; butylazanium

Systemtic Name: 6,6-bis(bromanyl)-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate; butylazanium Openeye Name: butylammonium; 6,6-dibromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: butylammonium; 6,6-dibromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate IUPAC Name: butylazanium; 6,6-dibromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: butylammonium; 6,6-dibromo-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Formula: C12H20Br2N2O3S MolecularWeight: 432.1718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH3+].CC1(C(N2C(S1)C(C2=O)(Br)Br)C(=O)[O-])C

Isomeric SMILES

CCCC[NH3+].CC1(C(N2C(S1)C(C2=O)(Br)Br)C(=O)[O-])C

InChI

InChI=1S/C8H9Br2NO3S.C4H11N/c1-7(2)3(4(12)13)11-5(14)8(9,10)6(11)15-7;1-2-3-4-5/h3,6H,1-2H3,(H,12,13);2-5H2,1H3