2-(pyridin-1-ium-3-ylcarbamoyl)cyclohexane-1-carboxylate

Systemtic Name: 2-(pyridin-1-ium-3-ylcarbamoyl)cyclohexane-1-carboxylate Openeye Name: 2-(pyridin-1-ium-3-ylcarbamoyl)cyclohexanecarboxylate CAS Name: 2-[oxo-(3-pyridin-1-iumylamino)methyl]-1-cyclohexanecarboxylate IUPAC Name: 2-(pyridin-1-ium-3-ylcarbamoyl)cyclohexane-1-carboxylate Traditional Name: 2-(pyridin-1-ium-3-ylcarbamoyl)cyclohexanecarboxylate Formula: C13H16N2O3 MolecularWeight: 248.27774

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC2=C[NH+]=CC=C2)C(=O)[O-]

Isomeric SMILES

C1CCC(C(C1)C(=O)NC2=C[NH+]=CC=C2)C(=O)[O-]

InChI

InChI=1S/C13H16N2O3/c16-12(15-9-4-3-7-14-8-9)10-5-1-2-6-11(10)13(17)18/h3-4,7-8,10-11H,1-2,5-6H2,(H,15,16)(H,17,18)