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

Systemtic Name: (3E,5E)-3,5-bis[(2,4-dichlorophenyl)methylidene]-1-propan-2-yl-piperidin-1-ium-4-one Openeye Name: (3E,5E)-3,5-bis[(2,4-dichlorophenyl)methylene]-1-isopropyl-piperidin-1-ium-4-one CAS Name: (3E,5E)-3,5-bis[(2,4-dichlorophenyl)methylidene]-1-propan-2-yl-4-piperidin-1-iumone IUPAC Name: (3E,5E)-3,5-bis[(2,4-dichlorophenyl)methylidene]-1-propan-2-ylpiperidin-1-ium-4-one Traditional Name: (3E,5E)-3,5-bis(2,4-dichlorobenzylidene)-1-isopropyl-piperidin-1-ium-4-one Formula: C22H20Cl4NO+ MolecularWeight: 456.2123

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CC(=CC2=C(C=C(C=C2)Cl)Cl)C(=O)C(=CC3=C(C=C(C=C3)Cl)Cl)C1

Isomeric SMILES

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

InChI

InChI=1S/C22H19Cl4NO/c1-13(2)27-11-16(7-14-3-5-18(23)9-20(14)25)22(28)17(12-27)8-15-4-6-19(24)10-21(15)26/h3-10,13H,11-12H2,1-2H3/p+1/b16-7+,17-8+