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

Systemtic Name: 3-fluoranyl-4-(4-propylpiperazin-4-ium-1-yl)benzoate Openeye Name: 3-fluoro-4-(4-propylpiperazin-4-ium-1-yl)benzoate CAS Name: 3-fluoro-4-(4-propyl-1-piperazin-4-iumyl)benzoate IUPAC Name: 3-fluoro-4-(4-propylpiperazin-4-ium-1-yl)benzoate Traditional Name: 3-fluoro-4-(4-propylpiperazin-4-ium-1-yl)benzoate Formula: C14H19FN2O2 MolecularWeight: 266.311263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19FN2O2/c1-2-5-16-6-8-17(9-7-16)13-4-3-11(14(18)19)10-12(13)15/h3-4,10H,2,5-9H2,1H3,(H,18,19)