(3E,5E)-3,5-bis[(2-bromophenyl)methylidene]-1-ethyl-piperidin-1-ium-4-one

Systemtic Name: (3E,5E)-3,5-bis[(2-bromophenyl)methylidene]-1-ethyl-piperidin-1-ium-4-one Openeye Name: (3E,5E)-3,5-bis[(2-bromophenyl)methylene]-1-ethyl-piperidin-1-ium-4-one CAS Name: (3E,5E)-3,5-bis[(2-bromophenyl)methylidene]-1-ethyl-4-piperidin-1-iumone IUPAC Name: (3E,5E)-3,5-bis[(2-bromophenyl)methylidene]-1-ethylpiperidin-1-ium-4-one Traditional Name: (3E,5E)-3,5-bis(2-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=C2Br)C(=O)C(=CC3=CC=CC=C3Br)C1

Isomeric SMILES

CC[NH+]1C/C(=C\C2=CC=CC=C2Br)/C(=O)/C(=C/C3=CC=CC=C3Br)/C1

InChI

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