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

Systemtic Name: 2-(pyridin-1-ium-3-ylmethylcarbamoyl)cyclohexane-1-carboxylate Openeye Name: 2-(pyridin-1-ium-3-ylmethylcarbamoyl)cyclohexanecarboxylate CAS Name: 2-[oxo-(3-pyridin-1-iumylmethylamino)methyl]-1-cyclohexanecarboxylate IUPAC Name: 2-(pyridin-1-ium-3-ylmethylcarbamoyl)cyclohexane-1-carboxylate Traditional Name: 2-(pyridin-1-ium-3-ylmethylcarbamoyl)cyclohexanecarboxylate Formula: C14H18N2O3 MolecularWeight: 262.30432

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NCC2=C[NH+]=CC=C2)C(=O)[O-]

Isomeric SMILES

C1CCC(C(C1)C(=O)NCC2=C[NH+]=CC=C2)C(=O)[O-]

InChI

InChI=1S/C14H18N2O3/c17-13(16-9-10-4-3-7-15-8-10)11-5-1-2-6-12(11)14(18)19/h3-4,7-8,11-12H,1-2,5-6,9H2,(H,16,17)(H,18,19)