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

Systemtic Name: (3Z,5E)-3,5-bis[(3,4-dichlorophenyl)methylidene]-1-ethyl-piperidin-1-ium-4-one Openeye Name: (3Z,5E)-3,5-bis[(3,4-dichlorophenyl)methylene]-1-ethyl-piperidin-1-ium-4-one CAS Name: (3Z,5E)-3,5-bis[(3,4-dichlorophenyl)methylidene]-1-ethyl-4-piperidin-1-iumone IUPAC Name: (3Z,5E)-3,5-bis[(3,4-dichlorophenyl)methylidene]-1-ethylpiperidin-1-ium-4-one Traditional Name: (3Z,5E)-3,5-bis(3,4-dichlorobenzylidene)-1-ethyl-piperidin-1-ium-4-one Formula: C21H18Cl4NO+ MolecularWeight: 442.18572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17Cl4NO/c1-2-26-11-15(7-13-3-5-17(22)19(24)9-13)21(27)16(12-26)8-14-4-6-18(23)20(25)10-14/h3-10H,2,11-12H2,1H3/p+1/b15-7-,16-8+