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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC2=CC=CC=[NH+]2)C(=O)[O-]

Isomeric SMILES

C1CCC(C(C1)C(=O)NC2=CC=CC=[NH+]2)C(=O)[O-]

InChI

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