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

Systemtic Name: (2S)-2-[4-[2-(4-fluorophenyl)ethanoyl]piperazin-1-ium-1-yl]propanoate Openeye Name: (2S)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-ium-1-yl]propanoate CAS Name: (2S)-2-[4-[2-(4-fluorophenyl)-1-oxoethyl]-1-piperazin-1-iumyl]propanoate IUPAC Name: (2S)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-ium-1-yl]propanoate Traditional Name: (2S)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-ium-1-yl]propionate Formula: C15H19FN2O3 MolecularWeight: 294.321363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])[NH+]1CCN(CC1)C(=O)CC2=CC=C(C=C2)F

Isomeric SMILES

C[C@@H](C(=O)[O-])[NH+]1CCN(CC1)C(=O)CC2=CC=C(C=C2)F

InChI

InChI=1S/C15H19FN2O3/c1-11(15(20)21)17-6-8-18(9-7-17)14(19)10-12-2-4-13(16)5-3-12/h2-5,11H,6-10H2,1H3,(H,20,21)/t11-/m0/s1