1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(1-ethyl-5-methyl-4-pyrazolyl)methyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-carboxylate Formula: C13H21N3O2 MolecularWeight: 251.32474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21N3O2/c1-3-16-10(2)12(8-14-16)9-15-6-4-11(5-7-15)13(17)18/h8,11H,3-7,9H2,1-2H3,(H,17,18)