dicyclohexylazanium; 6-iodanyl-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: dicyclohexylazanium; 6-iodanyl-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: dicyclohexylammonium; 6-iodo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: dicyclohexylammonium; 6-iodo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate IUPAC Name: dicyclohexylazanium; 6-iodo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: dicyclohexylammonium; 6-iodo-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Formula: C20H33IN2O3S MolecularWeight: 508.45709

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)I)C(=O)[O-])C.C1CCC(CC1)[NH2+]C2CCCCC2

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)I)C(=O)[O-])C.C1CCC(CC1)[NH2+]C2CCCCC2

InChI

InChI=1S/C12H23N.C8H10INO3S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h11-13H,1-10H2;3-4,6H,1-2H3,(H,12,13)