3-[3-(4-ethylpiperazin-4-ium-1-yl)carbonylpyrazol-1-yl]propanoate

Systemtic Name: 3-[3-(4-ethylpiperazin-4-ium-1-yl)carbonylpyrazol-1-yl]propanoate Openeye Name: 3-[3-(4-ethylpiperazin-4-ium-1-carbonyl)pyrazol-1-yl]propanoate CAS Name: 3-[3-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]-1-pyrazolyl]propanoate IUPAC Name: 3-[3-(4-ethylpiperazin-4-ium-1-carbonyl)pyrazol-1-yl]propanoate Traditional Name: 3-[3-(4-ethylpiperazin-4-ium-1-carbonyl)pyrazol-1-yl]propionate Formula: C13H20N4O3 MolecularWeight: 280.3229

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N4O3/c1-2-15-7-9-16(10-8-15)13(20)11-3-5-17(14-11)6-4-12(18)19/h3,5H,2,4,6-10H2,1H3,(H,18,19)