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

Systemtic Name: dimethyl (1S,2S)-4-pyridin-1-ium-1-ylcyclohex-4-ene-1,2-dicarboxylate bromide Openeye Name: dimethyl (1S,2S)-4-pyridin-1-ium-1-ylcyclohex-4-ene-1,2-dicarboxylate bromide CAS Name: (1S,2S)-4-(1-pyridin-1-iumyl)cyclohex-4-ene-1,2-dicarboxylic acid dimethyl ester bromide IUPAC Name: dimethyl (1S,2S)-4-pyridin-1-ium-1-ylcyclohex-4-ene-1,2-dicarboxylate bromide Traditional Name: (1S,2S)-4-pyridin-1-ium-1-ylcyclohex-4-ene-1,2-dicarboxylic acid dimethyl ester bromide Formula: C15H18BrNO4 MolecularWeight: 356.21172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18NO4.BrH/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;1H/q+1;/p-1/t12-,13-;/m0./s1