2-(3-fluorophenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxidanylidene-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-4-olate

Systemtic Name: 2-(3-fluorophenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxidanylidene-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-4-olate Openeye Name: 2-(3-fluorophenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-4-olate CAS Name: 2-(3-fluorophenyl)-1-[3-(4-morpholin-4-iumyl)propyl]-5-oxo-3-[(E)-1-oxo-3-phenylprop-2-enyl]-2H-pyrrol-4-olate IUPAC Name: 2-(3-fluorophenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-4-olate Traditional Name: 5-(3-fluorophenyl)-2-keto-1-(3-morpholin-4-ium-4-ylpropyl)-4-[(E)-3-phenylacryloyl]-3-pyrrolin-3-olate Formula: C26H27FN2O4 MolecularWeight: 450.501983

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCN2C(C(=C(C2=O)[O-])C(=O)C=CC3=CC=CC=C3)C4=CC(=CC=C4)F

Isomeric SMILES

C1COCC[NH+]1CCCN2C(C(=C(C2=O)[O-])C(=O)/C=C/C3=CC=CC=C3)C4=CC(=CC=C4)F

InChI

InChI=1S/C26H27FN2O4/c27-21-9-4-8-20(18-21)24-23(22(30)11-10-19-6-2-1-3-7-19)25(31)26(32)29(24)13-5-12-28-14-16-33-17-15-28/h1-4,6-11,18,24,31H,5,12-17H2/b11-10+