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

Systemtic Name: (3E,5E)-3,5-bis[(2-chlorophenyl)methylidene]-1-propyl-piperidin-1-ium-4-one Openeye Name: (3E,5E)-3,5-bis[(2-chlorophenyl)methylene]-1-propyl-piperidin-1-ium-4-one CAS Name: (3E,5E)-3,5-bis[(2-chlorophenyl)methylidene]-1-propyl-4-piperidin-1-iumone IUPAC Name: (3E,5E)-3,5-bis[(2-chlorophenyl)methylidene]-1-propylpiperidin-1-ium-4-one Traditional Name: (3E,5E)-3,5-bis(2-chlorobenzylidene)-1-propyl-piperidin-1-ium-4-one Formula: C22H22Cl2NO+ MolecularWeight: 387.32218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CC(=CC2=CC=CC=C2Cl)C(=O)C(=CC3=CC=CC=C3Cl)C1

Isomeric SMILES

CCC[NH+]1C/C(=C\C2=CC=CC=C2Cl)/C(=O)/C(=C/C3=CC=CC=C3Cl)/C1

InChI

InChI=1S/C22H21Cl2NO/c1-2-11-25-14-18(12-16-7-3-5-9-20(16)23)22(26)19(15-25)13-17-8-4-6-10-21(17)24/h3-10,12-13H,2,11,14-15H2,1H3/p+1/b18-12+,19-13+