2-[3-(4-methylpiperazin-4-ium-1-yl)carbonylpyrazol-1-yl]ethanoate

Systemtic Name: 2-[3-(4-methylpiperazin-4-ium-1-yl)carbonylpyrazol-1-yl]ethanoate Openeye Name: 2-[3-(4-methylpiperazin-4-ium-1-carbonyl)pyrazol-1-yl]acetate CAS Name: 2-[3-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-1-pyrazolyl]acetate IUPAC Name: 2-[3-(4-methylpiperazin-4-ium-1-carbonyl)pyrazol-1-yl]acetate Traditional Name: 2-[3-(4-methylpiperazin-4-ium-1-carbonyl)pyrazol-1-yl]acetate Formula: C11H16N4O3 MolecularWeight: 252.26974

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=NN(C=C2)CC(=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=NN(C=C2)CC(=O)[O-]

InChI

InChI=1S/C11H16N4O3/c1-13-4-6-14(7-5-13)11(18)9-2-3-15(12-9)8-10(16)17/h2-3H,4-8H2,1H3,(H,16,17)