(2S)-3-ethanoyl-2-(3-fluorophenyl)-4-oxidanyl-1-(2-piperazine-1,4-diium-1-ylethyl)-2H-pyrrol-5-one

Systemtic Name: (2S)-3-ethanoyl-2-(3-fluorophenyl)-4-oxidanyl-1-(2-piperazine-1,4-diium-1-ylethyl)-2H-pyrrol-5-one Openeye Name: (2S)-3-acetyl-2-(3-fluorophenyl)-4-hydroxy-1-(2-piperazine-1,4-diium-1-ylethyl)-2H-pyrrol-5-one CAS Name: (2S)-3-acetyl-2-(3-fluorophenyl)-4-hydroxy-1-[2-(1-piperazine-1,4-diiumyl)ethyl]-2H-pyrrol-5-one IUPAC Name: (2S)-3-acetyl-2-(3-fluorophenyl)-4-hydroxy-1-(2-piperazine-1,4-diium-1-ylethyl)-2H-pyrrol-5-one Traditional Name: (5S)-4-acetyl-5-(3-fluorophenyl)-3-hydroxy-1-(2-piperazine-1,4-diium-1-ylethyl)-3-pyrrolin-2-one Formula: C18H24FN3O3+2 MolecularWeight: 349.399863

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=O)N(C1C2=CC(=CC=C2)F)CC[NH+]3CC[NH2+]CC3)O

Isomeric SMILES

CC(=O)C1=C(C(=O)N([C@H]1C2=CC(=CC=C2)F)CC[NH+]3CC[NH2+]CC3)O

InChI

InChI=1S/C18H22FN3O3/c1-12(23)15-16(13-3-2-4-14(19)11-13)22(18(25)17(15)24)10-9-21-7-5-20-6-8-21/h2-4,11,16,20,24H,5-10H2,1H3/p+2/t16-/m0/s1