2-(2-pyridin-1-ium-4-ylethylcarbamoyl)cyclohexane-1-carboxylate

Systemtic Name: 2-(2-pyridin-1-ium-4-ylethylcarbamoyl)cyclohexane-1-carboxylate Openeye Name: 2-(2-pyridin-1-ium-4-ylethylcarbamoyl)cyclohexanecarboxylate CAS Name: 2-[oxo-[2-(4-pyridin-1-iumyl)ethylamino]methyl]-1-cyclohexanecarboxylate IUPAC Name: 2-(2-pyridin-1-ium-4-ylethylcarbamoyl)cyclohexane-1-carboxylate Traditional Name: 2-(2-pyridin-1-ium-4-ylethylcarbamoyl)cyclohexanecarboxylate Formula: C15H20N2O3 MolecularWeight: 276.3309

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NCCC2=CC=[NH+]C=C2)C(=O)[O-]

Isomeric SMILES

C1CCC(C(C1)C(=O)NCCC2=CC=[NH+]C=C2)C(=O)[O-]

InChI

InChI=1S/C15H20N2O3/c18-14(12-3-1-2-4-13(12)15(19)20)17-10-7-11-5-8-16-9-6-11/h5-6,8-9,12-13H,1-4,7,10H2,(H,17,18)(H,19,20)