(1S,2R)-4-pyridin-1-ium-1-ylcyclohex-4-ene-1,2-dicarboxylic acid bromide

Systemtic Name: (1S,2R)-4-pyridin-1-ium-1-ylcyclohex-4-ene-1,2-dicarboxylic acid bromide Openeye Name: (1S,2R)-4-pyridin-1-ium-1-ylcyclohex-4-ene-1,2-dicarboxylic acid bromide CAS Name: (1S,2R)-4-(1-pyridin-1-iumyl)cyclohex-4-ene-1,2-dicarboxylic acid bromide IUPAC Name: (1S,2R)-4-pyridin-1-ium-1-ylcyclohex-4-ene-1,2-dicarboxylic acid bromide Traditional Name: (1S,2R)-4-pyridin-1-ium-1-ylcyclohex-4-ene-1,2-dicarboxylic acid bromide Formula: C13H14BrNO4 MolecularWeight: 328.15856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=C(CC(C1C(=O)O)C(=O)O)[N+]2=CC=CC=C2.[Br-]

Isomeric SMILES

C1C=C(C[C@H]([C@H]1C(=O)O)C(=O)O)[N+]2=CC=CC=C2.[Br-]

InChI

InChI=1S/C13H13NO4.BrH/c15-12(16)10-5-4-9(8-11(10)13(17)18)14-6-2-1-3-7-14;/h1-4,6-7,10-11H,5,8H2,(H-,15,16,17,18);1H/t10-,11+;/m0./s1