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

Systemtic Name: 3-fluoranyl-4-(4-methylpiperazin-4-ium-1-yl)benzoate Openeye Name: 3-fluoro-4-(4-methylpiperazin-4-ium-1-yl)benzoate CAS Name: 3-fluoro-4-(4-methyl-1-piperazin-4-iumyl)benzoate IUPAC Name: 3-fluoro-4-(4-methylpiperazin-4-ium-1-yl)benzoate Traditional Name: 3-fluoro-4-(4-methylpiperazin-4-ium-1-yl)benzoate Formula: C12H15FN2O2 MolecularWeight: 238.258103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15FN2O2/c1-14-4-6-15(7-5-14)11-3-2-9(12(16)17)8-10(11)13/h2-3,8H,4-7H2,1H3,(H,16,17)