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

Systemtic Name: 2-[4-(4-ethylpiperazin-4-ium-1-yl)carbonylpyrazol-1-yl]ethanoate Openeye Name: 2-[4-(4-ethylpiperazin-4-ium-1-carbonyl)pyrazol-1-yl]acetate CAS Name: 2-[4-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]-1-pyrazolyl]acetate IUPAC Name: 2-[4-(4-ethylpiperazin-4-ium-1-carbonyl)pyrazol-1-yl]acetate Traditional Name: 2-[4-(4-ethylpiperazin-4-ium-1-carbonyl)pyrazol-1-yl]acetate Formula: C12H18N4O3 MolecularWeight: 266.29632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N4O3/c1-2-14-3-5-15(6-4-14)12(19)10-7-13-16(8-10)9-11(17)18/h7-8H,2-6,9H2,1H3,(H,17,18)