2-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-1-ium-4-yl]ethanoate

Systemtic Name: 2-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-1-ium-4-yl]ethanoate Openeye Name: 2-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-1-ium-4-yl]acetate CAS Name: 2-[1-[(2,5-dimethyl-3-pyrazolyl)methyl]-4-piperidin-1-iumyl]acetate IUPAC Name: 2-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-1-ium-4-yl]acetate Traditional Name: 2-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-1-ium-4-yl]acetate Formula: C13H21N3O2 MolecularWeight: 251.32474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C[NH+]2CCC(CC2)CC(=O)[O-])C

Isomeric SMILES

CC1=NN(C(=C1)C[NH+]2CCC(CC2)CC(=O)[O-])C

InChI

InChI=1S/C13H21N3O2/c1-10-7-12(15(2)14-10)9-16-5-3-11(4-6-16)8-13(17)18/h7,11H,3-6,8-9H2,1-2H3,(H,17,18)