dimethyl (1S,2S)-4-pyridin-1-ium-1-ylcyclohex-4-ene-1,2-dicarboxylate

Systemtic Name: dimethyl (1S,2S)-4-pyridin-1-ium-1-ylcyclohex-4-ene-1,2-dicarboxylate Openeye Name: dimethyl (1S,2S)-4-pyridin-1-ium-1-ylcyclohex-4-ene-1,2-dicarboxylate CAS Name: (1S,2S)-4-(1-pyridin-1-iumyl)cyclohex-4-ene-1,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (1S,2S)-4-pyridin-1-ium-1-ylcyclohex-4-ene-1,2-dicarboxylate Traditional Name: (1S,2S)-4-pyridin-1-ium-1-ylcyclohex-4-ene-1,2-dicarboxylic acid dimethyl ester Formula: C15H18NO4+ MolecularWeight: 276.30772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC=C(CC1C(=O)OC)[N+]2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@H]1CC=C(C[C@@H]1C(=O)OC)[N+]2=CC=CC=C2

InChI

InChI=1S/C15H18NO4/c1-19-14(17)12-7-6-11(10-13(12)15(18)20-2)16-8-4-3-5-9-16/h3-6,8-9,12-13H,7,10H2,1-2H3/q+1/t12-,13-/m0/s1