(3Z,5E)-3,5-bis[(2-fluorophenyl)methylidene]-1-propan-2-yl-piperidin-1-ium-4-one

Systemtic Name: (3Z,5E)-3,5-bis[(2-fluorophenyl)methylidene]-1-propan-2-yl-piperidin-1-ium-4-one Openeye Name: (3Z,5E)-3,5-bis[(2-fluorophenyl)methylene]-1-isopropyl-piperidin-1-ium-4-one CAS Name: (3Z,5E)-3,5-bis[(2-fluorophenyl)methylidene]-1-propan-2-yl-4-piperidin-1-iumone IUPAC Name: (3Z,5E)-3,5-bis[(2-fluorophenyl)methylidene]-1-propan-2-ylpiperidin-1-ium-4-one Traditional Name: (3Z,5E)-3,5-bis(2-fluorobenzylidene)-1-isopropyl-piperidin-1-ium-4-one Formula: C22H22F2NO+ MolecularWeight: 354.412986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CC(=CC2=CC=CC=C2F)C(=O)C(=CC3=CC=CC=C3F)C1

Isomeric SMILES

CC(C)[NH+]1C/C(=C\C2=CC=CC=C2F)/C(=O)/C(=C\C3=CC=CC=C3F)/C1

InChI

InChI=1S/C22H21F2NO/c1-15(2)25-13-18(11-16-7-3-5-9-20(16)23)22(26)19(14-25)12-17-8-4-6-10-21(17)24/h3-12,15H,13-14H2,1-2H3/p+1/b18-11-,19-12+