4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoranyl-benzoate

Systemtic Name: 4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoranyl-benzoate Openeye Name: 4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoro-benzoate CAS Name: 4-(4-ethyl-1-piperazin-4-iumyl)-3-fluorobenzoate IUPAC Name: 4-(4-ethylpiperazin-4-ium-1-yl)-3-fluorobenzoate Traditional Name: 4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoro-benzoate Formula: C13H17FN2O2 MolecularWeight: 252.284683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17FN2O2/c1-2-15-5-7-16(8-6-15)12-4-3-10(13(17)18)9-11(12)14/h3-4,9H,2,5-8H2,1H3,(H,17,18)