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

Systemtic Name: (3Z,5E)-3,5-bis[(3-bromophenyl)methylidene]-1-ethyl-piperidin-1-ium-4-one Openeye Name: (3Z,5E)-3,5-bis[(3-bromophenyl)methylene]-1-ethyl-piperidin-1-ium-4-one CAS Name: (3Z,5E)-3,5-bis[(3-bromophenyl)methylidene]-1-ethyl-4-piperidin-1-iumone IUPAC Name: (3Z,5E)-3,5-bis[(3-bromophenyl)methylidene]-1-ethylpiperidin-1-ium-4-one Traditional Name: (3Z,5E)-3,5-bis(3-bromobenzylidene)-1-ethyl-piperidin-1-ium-4-one Formula: C21H20Br2NO+ MolecularWeight: 462.1976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19Br2NO/c1-2-24-13-17(9-15-5-3-7-19(22)11-15)21(25)18(14-24)10-16-6-4-8-20(23)12-16/h3-12H,2,13-14H2,1H3/p+1/b17-9-,18-10+