methyl 3-pyridin-1-ium-1-ylcyclohex-3-ene-1-carboxylate bromide

Systemtic Name: methyl 3-pyridin-1-ium-1-ylcyclohex-3-ene-1-carboxylate bromide Openeye Name: methyl 3-pyridin-1-ium-1-ylcyclohex-3-ene-1-carboxylate bromide CAS Name: 3-(1-pyridin-1-iumyl)-1-cyclohex-3-enecarboxylic acid methyl ester bromide IUPAC Name: methyl 3-pyridin-1-ium-1-ylcyclohex-3-ene-1-carboxylate bromide Traditional Name: 3-pyridin-1-ium-1-ylcyclohex-3-ene-1-carboxylic acid methyl ester bromide Formula: C13H16BrNO2 MolecularWeight: 298.17564

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC=C(C1)[N+]2=CC=CC=C2.[Br-]

Isomeric SMILES

COC(=O)C1CCC=C(C1)[N+]2=CC=CC=C2.[Br-]

InChI

InChI=1S/C13H16NO2.BrH/c1-16-13(15)11-6-5-7-12(10-11)14-8-3-2-4-9-14;/h2-4,7-9,11H,5-6,10H2,1H3;1H/q+1;/p-1