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

Systemtic Name: (3E,5E)-3,5-bis[(4-tert-butylphenyl)methylidene]-1-methyl-piperidin-1-ium-4-one Openeye Name: (3E,5E)-3,5-bis[(4-tert-butylphenyl)methylene]-1-methyl-piperidin-1-ium-4-one CAS Name: (3E,5E)-3,5-bis[(4-tert-butylphenyl)methylidene]-1-methyl-4-piperidin-1-iumone IUPAC Name: (3E,5E)-3,5-bis[(4-tert-butylphenyl)methylidene]-1-methylpiperidin-1-ium-4-one Traditional Name: (3E,5E)-3,5-bis(4-tert-butylbenzylidene)-1-methyl-piperidin-1-ium-4-one Formula: C28H36NO+ MolecularWeight: 402.59154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C=C2C[NH+](CC(=CC3=CC=C(C=C3)C(C)(C)C)C2=O)C

Isomeric SMILES

CC(C1=CC=C(C=C1)/C=C\2/C(=O)/C(=C/C3=CC=C(C=C3)C(C)(C)C)/C[NH+](C2)C)(C)C

InChI

InChI=1S/C28H35NO/c1-27(2,3)24-12-8-20(9-13-24)16-22-18-29(7)19-23(26(22)30)17-21-10-14-25(15-11-21)28(4,5)6/h8-17H,18-19H2,1-7H3/p+1/b22-16+,23-17+