(2S)-1-[2-(diethylazaniumyl)ethyl]-3-ethanoyl-2-(2-fluorophenyl)-5-oxidanylidene-2H-pyrrol-4-olate

Systemtic Name: (2S)-1-[2-(diethylazaniumyl)ethyl]-3-ethanoyl-2-(2-fluorophenyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: (2S)-3-acetyl-1-[2-(diethylammonio)ethyl]-2-(2-fluorophenyl)-5-oxo-2H-pyrrol-4-olate CAS Name: (2S)-3-acetyl-1-[2-(diethylammonio)ethyl]-2-(2-fluorophenyl)-5-oxo-2H-pyrrol-4-olate IUPAC Name: (2S)-3-acetyl-1-[2-(diethylazaniumyl)ethyl]-2-(2-fluorophenyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: (5S)-4-acetyl-1-[2-(diethylammonio)ethyl]-5-(2-fluorophenyl)-2-keto-3-pyrrolin-3-olate Formula: C18H23FN2O3 MolecularWeight: 334.385223

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(C(=C(C1=O)[O-])C(=O)C)C2=CC=CC=C2F

Isomeric SMILES

CC[NH+](CC)CCN1[C@@H](C(=C(C1=O)[O-])C(=O)C)C2=CC=CC=C2F

InChI

InChI=1S/C18H23FN2O3/c1-4-20(5-2)10-11-21-16(13-8-6-7-9-14(13)19)15(12(3)22)17(23)18(21)24/h6-9,16,23H,4-5,10-11H2,1-3H3/t16-/m1/s1