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

Systemtic Name: (2S)-2-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethanoylamino]propanoate Openeye Name: (2S)-2-[[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetyl]amino]propanoate CAS Name: (2S)-2-[[2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]propanoate IUPAC Name: (2S)-2-[[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetyl]amino]propanoate Traditional Name: (2S)-2-[[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetyl]amino]propionate Formula: C15H20FN3O3 MolecularWeight: 309.336003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20FN3O3/c1-11(15(21)22)17-14(20)10-18-6-8-19(9-7-18)13-4-2-12(16)3-5-13/h2-5,11H,6-10H2,1H3,(H,17,20)(H,21,22)/t11-/m0/s1