3-[6-(4-ethylpiperazin-4-ium-1-yl)pyridazin-3-yl]propanoate

Systemtic Name: 3-[6-(4-ethylpiperazin-4-ium-1-yl)pyridazin-3-yl]propanoate Openeye Name: 3-[6-(4-ethylpiperazin-4-ium-1-yl)pyridazin-3-yl]propanoate CAS Name: 3-[6-(4-ethyl-1-piperazin-4-iumyl)-3-pyridazinyl]propanoate IUPAC Name: 3-[6-(4-ethylpiperazin-4-ium-1-yl)pyridazin-3-yl]propanoate Traditional Name: 3-[6-(4-ethylpiperazin-4-ium-1-yl)pyridazin-3-yl]propionate Formula: C13H20N4O2 MolecularWeight: 264.3235

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N4O2/c1-2-16-7-9-17(10-8-16)12-5-3-11(14-15-12)4-6-13(18)19/h3,5H,2,4,6-10H2,1H3,(H,18,19)