(3Z,5E)-3,5-bis[(4-tert-butylphenyl)methylidene]-1-ethyl-piperidin-1-ium-4-one

Systemtic Name: (3Z,5E)-3,5-bis[(4-tert-butylphenyl)methylidene]-1-ethyl-piperidin-1-ium-4-one Openeye Name: (3Z,5E)-3,5-bis[(4-tert-butylphenyl)methylene]-1-ethyl-piperidin-1-ium-4-one CAS Name: (3Z,5E)-3,5-bis[(4-tert-butylphenyl)methylidene]-1-ethyl-4-piperidin-1-iumone IUPAC Name: (3Z,5E)-3,5-bis[(4-tert-butylphenyl)methylidene]-1-ethylpiperidin-1-ium-4-one Traditional Name: (3Z,5E)-3,5-bis(4-tert-butylbenzylidene)-1-ethyl-piperidin-1-ium-4-one Formula: C29H38NO+ MolecularWeight: 416.61812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H37NO/c1-8-30-19-23(17-21-9-13-25(14-10-21)28(2,3)4)27(31)24(20-30)18-22-11-15-26(16-12-22)29(5,6)7/h9-18H,8,19-20H2,1-7H3/p+1/b23-17-,24-18+