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

Systemtic Name: (3Z,5E)-3,5-bis[(2,4-dichlorophenyl)methylidene]-1-(phenylmethyl)piperidin-1-ium-4-one Openeye Name: (3Z,5E)-1-benzyl-3,5-bis[(2,4-dichlorophenyl)methylene]piperidin-1-ium-4-one CAS Name: (3Z,5E)-3,5-bis[(2,4-dichlorophenyl)methylidene]-1-(phenylmethyl)-4-piperidin-1-iumone IUPAC Name: (3Z,5E)-1-benzyl-3,5-bis[(2,4-dichlorophenyl)methylidene]piperidin-1-ium-4-one Traditional Name: (3Z,5E)-1-benzyl-3,5-bis(2,4-dichlorobenzylidene)piperidin-1-ium-4-one Formula: C26H20Cl4NO+ MolecularWeight: 504.2551

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC2=C(C=C(C=C2)Cl)Cl)C(=O)C(=CC3=C(C=C(C=C3)Cl)Cl)C[NH+]1CC4=CC=CC=C4

Isomeric SMILES

C1/C(=C\C2=C(C=C(C=C2)Cl)Cl)/C(=O)/C(=C\C3=C(C=C(C=C3)Cl)Cl)/C[NH+]1CC4=CC=CC=C4

InChI

InChI=1S/C26H19Cl4NO/c27-22-8-6-18(24(29)12-22)10-20-15-31(14-17-4-2-1-3-5-17)16-21(26(20)32)11-19-7-9-23(28)13-25(19)30/h1-13H,14-16H2/p+1/b20-10-,21-11+