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

Systemtic Name: (3E,5E)-3,5-bis[(2,4-dimethylphenyl)methylidene]-1-ethyl-piperidin-1-ium-4-one Openeye Name: (3E,5E)-3,5-bis[(2,4-dimethylphenyl)methylene]-1-ethyl-piperidin-1-ium-4-one CAS Name: (3E,5E)-3,5-bis[(2,4-dimethylphenyl)methylidene]-1-ethyl-4-piperidin-1-iumone IUPAC Name: (3E,5E)-3,5-bis[(2,4-dimethylphenyl)methylidene]-1-ethylpiperidin-1-ium-4-one Traditional Name: (3E,5E)-3,5-bis(2,4-dimethylbenzylidene)-1-ethyl-piperidin-1-ium-4-one Formula: C25H30NO+ MolecularWeight: 360.5118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29NO/c1-6-26-15-23(13-21-9-7-17(2)11-19(21)4)25(27)24(16-26)14-22-10-8-18(3)12-20(22)5/h7-14H,6,15-16H2,1-5H3/p+1/b23-13+,24-14+