3-pyridin-1-ium-1-ylcyclohex-3-ene-1-carboxylic acid bromide

Systemtic Name: 3-pyridin-1-ium-1-ylcyclohex-3-ene-1-carboxylic acid bromide Openeye Name: 3-pyridin-1-ium-1-ylcyclohex-3-ene-1-carboxylic acid bromide CAS Name: 3-(1-pyridin-1-iumyl)-1-cyclohex-3-enecarboxylic acid bromide IUPAC Name: 3-pyridin-1-ium-1-ylcyclohex-3-ene-1-carboxylic acid bromide Traditional Name: 3-pyridin-1-ium-1-ylcyclohex-3-ene-1-carboxylic acid bromide Formula: C12H14BrNO2 MolecularWeight: 284.14906

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(=C1)[N+]2=CC=CC=C2)C(=O)O.[Br-]

Isomeric SMILES

C1CC(CC(=C1)[N+]2=CC=CC=C2)C(=O)O.[Br-]

InChI

InChI=1S/C12H13NO2.BrH/c14-12(15)10-5-4-6-11(9-10)13-7-2-1-3-8-13;/h1-3,6-8,10H,4-5,9H2;1H