(3E,5E)-3,5-bis[(4-dimethylaminophenyl)methylidene]-1,1-diethyl-piperidin-1-ium-4-one

Systemtic Name: (3E,5E)-3,5-bis[(4-dimethylaminophenyl)methylidene]-1,1-diethyl-piperidin-1-ium-4-one Openeye Name: (3E,5E)-3,5-bis[(4-dimethylaminophenyl)methylene]-1,1-diethyl-piperidin-1-ium-4-one CAS Name: (3E,5E)-3,5-bis[(4-dimethylaminophenyl)methylidene]-1,1-diethyl-4-piperidin-1-iumone IUPAC Name: (3E,5E)-3,5-bis[(4-dimethylaminophenyl)methylidene]-1,1-diethylpiperidin-1-ium-4-one Traditional Name: (3E,5E)-3,5-bis[4-(dimethylamino)benzylidene]-1,1-diethyl-piperidin-1-ium-4-one Formula: C27H36N3O+ MolecularWeight: 418.59424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36N3O/c1-7-30(8-2)19-23(17-21-9-13-25(14-10-21)28(3)4)27(31)24(20-30)18-22-11-15-26(16-12-22)29(5)6/h9-18H,7-8,19-20H2,1-6H3/q+1/b23-17+,24-18+