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

Systemtic Name: methyl 3-pyridin-1-ium-1-ylcyclohex-3-ene-1-carboxylate Openeye Name: methyl 3-pyridin-1-ium-1-ylcyclohex-3-ene-1-carboxylate CAS Name: 3-(1-pyridin-1-iumyl)-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl 3-pyridin-1-ium-1-ylcyclohex-3-ene-1-carboxylate Traditional Name: 3-pyridin-1-ium-1-ylcyclohex-3-ene-1-carboxylic acid methyl ester Formula: C13H16NO2+ MolecularWeight: 218.27164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16NO2/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/q+1