ethyl (2S)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-2-phenyl-ethanoate

Systemtic Name: ethyl (2S)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-2-phenyl-ethanoate Openeye Name: ethyl (2S)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-2-phenyl-acetate CAS Name: (2S)-2-[4-(2-fluorophenyl)-1-piperazin-1-iumyl]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl (2S)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-2-phenylacetate Traditional Name: (2S)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-2-phenyl-acetic acid ethyl ester Formula: C20H24FN2O2+ MolecularWeight: 343.415163

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)[NH+]2CCN(CC2)C3=CC=CC=C3F

Isomeric SMILES

CCOC(=O)[C@H](C1=CC=CC=C1)[NH+]2CCN(CC2)C3=CC=CC=C3F

InChI

InChI=1S/C20H23FN2O2/c1-2-25-20(24)19(16-8-4-3-5-9-16)23-14-12-22(13-15-23)18-11-7-6-10-17(18)21/h3-11,19H,2,12-15H2,1H3/p+1/t19-/m0/s1