1-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(1-ethyl-4-pyrazolyl)methyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-ium-4-carboxylate Formula: C12H19N3O2 MolecularWeight: 237.29816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19N3O2/c1-2-15-9-10(7-13-15)8-14-5-3-11(4-6-14)12(16)17/h7,9,11H,2-6,8H2,1H3,(H,16,17)