1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(1,3,5-trimethyl-4-pyrazolyl)methyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-1-ium-4-carboxylate Formula: C13H21N3O2 MolecularWeight: 251.32474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C[NH+]2CCC(CC2)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C)C)C[NH+]2CCC(CC2)C(=O)[O-]

InChI

InChI=1S/C13H21N3O2/c1-9-12(10(2)15(3)14-9)8-16-6-4-11(5-7-16)13(17)18/h11H,4-8H2,1-3H3,(H,17,18)