(3R)-3-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-ium-1-yl]-1-ethyl-pyrrolidine-2,5-dione

Systemtic Name: (3R)-3-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-ium-1-yl]-1-ethyl-pyrrolidine-2,5-dione Openeye Name: (3R)-3-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-ium-1-yl]-1-ethyl-pyrrolidine-2,5-dione CAS Name: (3R)-3-[4-(4-acetyl-2-fluorophenyl)-1-piperazin-1-iumyl]-1-ethylpyrrolidine-2,5-dione IUPAC Name: (3R)-3-[4-(4-acetyl-2-fluorophenyl)piperazin-1-ium-1-yl]-1-ethylpyrrolidine-2,5-dione Traditional Name: (3R)-3-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-ium-1-yl]-1-ethyl-pyrrolidine-2,5-quinone Formula: C18H23FN3O3+ MolecularWeight: 348.391923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)CC(C1=O)[NH+]2CCN(CC2)C3=C(C=C(C=C3)C(=O)C)F

Isomeric SMILES

CCN1C(=O)C[C@H](C1=O)[NH+]2CCN(CC2)C3=C(C=C(C=C3)C(=O)C)F

InChI

InChI=1S/C18H22FN3O3/c1-3-22-17(24)11-16(18(22)25)21-8-6-20(7-9-21)15-5-4-13(12(2)23)10-14(15)19/h4-5,10,16H,3,6-9,11H2,1-2H3/p+1/t16-/m1/s1