2-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-1-ium-4-yl]ethanoate

Systemtic Name: 2-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-1-ium-4-yl]ethanoate Openeye Name: 2-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-1-ium-4-yl]acetate CAS Name: 2-[1-[(2-methyl-3-pyrazolyl)methyl]-4-piperidin-1-iumyl]acetate IUPAC Name: 2-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-1-ium-4-yl]acetate Traditional Name: 2-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-1-ium-4-yl]acetate Formula: C12H19N3O2 MolecularWeight: 237.29816

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=N1)C[NH+]2CCC(CC2)CC(=O)[O-]

Isomeric SMILES

CN1C(=CC=N1)C[NH+]2CCC(CC2)CC(=O)[O-]

InChI

InChI=1S/C12H19N3O2/c1-14-11(2-5-13-14)9-15-6-3-10(4-7-15)8-12(16)17/h2,5,10H,3-4,6-9H2,1H3,(H,16,17)