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

Systemtic Name: 1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(1,3-dimethyl-4-pyrazolyl)methyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-4-carboxylate Formula: C12H19N3O2 MolecularWeight: 237.29816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C[NH+]2CCC(CC2)C(=O)[O-])C

Isomeric SMILES

CC1=NN(C=C1C[NH+]2CCC(CC2)C(=O)[O-])C

InChI

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