3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propanoate

Systemtic Name: 3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propanoate Openeye Name: 3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propanoate CAS Name: 3-[4-(2-fluorophenyl)-1-piperazin-1-iumyl]propanoate IUPAC Name: 3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propanoate Traditional Name: 3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propionate Formula: C13H17FN2O2 MolecularWeight: 252.284683

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)[O-])C2=CC=CC=C2F

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)[O-])C2=CC=CC=C2F

InChI

InChI=1S/C13H17FN2O2/c14-11-3-1-2-4-12(11)16-9-7-15(8-10-16)6-5-13(17)18/h1-4H,5-10H2,(H,17,18)