2-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-1-ium-4-yl]ethanoate

Systemtic Name: 2-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-1-ium-4-yl]ethanoate Openeye Name: 2-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-1-ium-4-yl]acetate CAS Name: 2-[1-[(1-ethyl-3-pyrazolyl)methyl]-4-piperidin-1-iumyl]acetate IUPAC Name: 2-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-1-ium-4-yl]acetate Traditional Name: 2-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-1-ium-4-yl]acetate Formula: C13H21N3O2 MolecularWeight: 251.32474

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CC(=N1)C[NH+]2CCC(CC2)CC(=O)[O-]

Isomeric SMILES

CCN1C=CC(=N1)C[NH+]2CCC(CC2)CC(=O)[O-]

InChI

InChI=1S/C13H21N3O2/c1-2-16-8-5-12(14-16)10-15-6-3-11(4-7-15)9-13(17)18/h5,8,11H,2-4,6-7,9-10H2,1H3,(H,17,18)