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

Systemtic Name: (3E,5E)-3,5-bis[[4-(diethylamino)phenyl]methylidene]-1-ethyl-piperidin-1-ium-4-one Openeye Name: (3E,5E)-3,5-bis[[4-(diethylamino)phenyl]methylene]-1-ethyl-piperidin-1-ium-4-one CAS Name: (3E,5E)-3,5-bis[[4-(diethylamino)phenyl]methylidene]-1-ethyl-4-piperidin-1-iumone IUPAC Name: (3E,5E)-3,5-bis[[4-(diethylamino)phenyl]methylidene]-1-ethylpiperidin-1-ium-4-one Traditional Name: (3E,5E)-3,5-bis[4-(diethylamino)benzylidene]-1-ethyl-piperidin-1-ium-4-one Formula: C29H40N3O+ MolecularWeight: 446.6474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H39N3O/c1-6-30-21-25(19-23-11-15-27(16-12-23)31(7-2)8-3)29(33)26(22-30)20-24-13-17-28(18-14-24)32(9-4)10-5/h11-20H,6-10,21-22H2,1-5H3/p+1/b25-19+,26-20+