6-(pyridin-1-ium-4-ylmethylcarbamoyl)cyclohex-3-ene-1-carboxylate

Systemtic Name: 6-(pyridin-1-ium-4-ylmethylcarbamoyl)cyclohex-3-ene-1-carboxylate Openeye Name: 6-(pyridin-1-ium-4-ylmethylcarbamoyl)cyclohex-3-ene-1-carboxylate CAS Name: 6-[oxo-(4-pyridin-1-iumylmethylamino)methyl]-1-cyclohex-3-enecarboxylate IUPAC Name: 6-(pyridin-1-ium-4-ylmethylcarbamoyl)cyclohex-3-ene-1-carboxylate Traditional Name: 6-(pyridin-1-ium-4-ylmethylcarbamoyl)cyclohex-3-ene-1-carboxylate Formula: C14H16N2O3 MolecularWeight: 260.28844

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NCC2=CC=[NH+]C=C2)C(=O)[O-]

Isomeric SMILES

C1C=CCC(C1C(=O)NCC2=CC=[NH+]C=C2)C(=O)[O-]

InChI

InChI=1S/C14H16N2O3/c17-13(16-9-10-5-7-15-8-6-10)11-3-1-2-4-12(11)14(18)19/h1-2,5-8,11-12H,3-4,9H2,(H,16,17)(H,18,19)