2-[(3E,5E)-3,5-bis[(4-fluorophenyl)methylidene]-4-oxidanylidene-piperidin-1-yl]ethylphosphonic acid hydrobromide

Systemtic Name: 2-[(3E,5E)-3,5-bis[(4-fluorophenyl)methylidene]-4-oxidanylidene-piperidin-1-yl]ethylphosphonic acid hydrobromide Openeye Name: 2-[(3E,5E)-3,5-bis[(4-fluorophenyl)methylene]-4-oxo-1-piperidyl]ethylphosphonic acid hydrobromide CAS Name: 2-[(3E,5E)-3,5-bis[(4-fluorophenyl)methylidene]-4-oxo-1-piperidinyl]ethylphosphonic acid hydrobromide IUPAC Name: 2-[(3E,5E)-3,5-bis[(4-fluorophenyl)methylidene]-4-oxopiperidin-1-yl]ethylphosphonic acid hydrobromide Traditional Name: 2-[(3E,5E)-3,5-bis(4-fluorobenzylidene)-4-keto-piperidino]ethylphosphonic acid hydrobromide Formula: C21H21BrF2NO4P MolecularWeight: 500.270307

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC2=CC=C(C=C2)F)C(=O)C(=CC3=CC=C(C=C3)F)CN1CCP(=O)(O)O.Br

Isomeric SMILES

C\1N(C/C(=C\C2=CC=C(C=C2)F)/C(=O)/C1=C/C3=CC=C(C=C3)F)CCP(=O)(O)O.Br

InChI

InChI=1S/C21H20F2NO4P.BrH/c22-19-5-1-15(2-6-19)11-17-13-24(9-10-29(26,27)28)14-18(21(17)25)12-16-3-7-20(23)8-4-16;/h1-8,11-12H,9-10,13-14H2,(H2,26,27,28);1H/b17-11+,18-12+;