3-[(2S)-2-(4-fluorophenyl)-3-(furan-2-ylcarbonyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[(2S)-2-(4-fluorophenyl)-3-(furan-2-ylcarbonyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[(2S)-2-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[(2S)-2-(4-fluorophenyl)-3-[2-furanyl(oxo)methyl]-4-hydroxy-5-oxo-2H-pyrrol-1-yl]propyl-dimethylammonium IUPAC Name: 3-[(2S)-2-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]propyl-dimethylazanium Traditional Name: 3-[(2S)-2-(4-fluorophenyl)-3-(2-furoyl)-4-hydroxy-5-keto-3-pyrrolin-1-yl]propyl-dimethyl-ammonium Formula: C20H22FN2O4+ MolecularWeight: 373.398083

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C(C(=C(C1=O)O)C(=O)C2=CC=CO2)C3=CC=C(C=C3)F

Isomeric SMILES

C[NH+](C)CCCN1[C@H](C(=C(C1=O)O)C(=O)C2=CC=CO2)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H21FN2O4/c1-22(2)10-4-11-23-17(13-6-8-14(21)9-7-13)16(19(25)20(23)26)18(24)15-5-3-12-27-15/h3,5-9,12,17,25H,4,10-11H2,1-2H3/p+1/t17-/m0/s1