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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NCC2=CC=CC=[NH+]2)C(=O)[O-]

Isomeric SMILES

C1CCC(C(C1)C(=O)NCC2=CC=CC=[NH+]2)C(=O)[O-]

InChI

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