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

Systemtic Name: 3,5-bis[(4-bromophenyl)methylidene]-1-propyl-piperidin-1-ium-4-one Openeye Name: 3,5-bis[(4-bromophenyl)methylene]-1-propyl-piperidin-1-ium-4-one CAS Name: 3,5-bis[(4-bromophenyl)methylidene]-1-propyl-4-piperidin-1-iumone IUPAC Name: 3,5-bis[(4-bromophenyl)methylidene]-1-propylpiperidin-1-ium-4-one Traditional Name: 3,5-bis(4-bromobenzylidene)-1-propyl-piperidin-1-ium-4-one Formula: C22H22Br2NO+ MolecularWeight: 476.22418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21Br2NO/c1-2-11-25-14-18(12-16-3-7-20(23)8-4-16)22(26)19(15-25)13-17-5-9-21(24)10-6-17/h3-10,12-13H,2,11,14-15H2,1H3/p+1