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

Systemtic Name: (3E,5E)-3,5-bis[(4-butoxyphenyl)methylidene]-1-methyl-piperidin-1-ium-4-one Openeye Name: (3E,5E)-3,5-bis[(4-butoxyphenyl)methylene]-1-methyl-piperidin-1-ium-4-one CAS Name: (3E,5E)-3,5-bis[(4-butoxyphenyl)methylidene]-1-methyl-4-piperidin-1-iumone IUPAC Name: (3E,5E)-3,5-bis[(4-butoxyphenyl)methylidene]-1-methylpiperidin-1-ium-4-one Traditional Name: (3E,5E)-3,5-bis(4-butoxybenzylidene)-1-methyl-piperidin-1-ium-4-one Formula: C28H36NO3+ MolecularWeight: 434.59034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=C2C[NH+](CC(=CC3=CC=C(C=C3)OCCCC)C2=O)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C\2/C(=O)/C(=C/C3=CC=C(C=C3)OCCCC)/C[NH+](C2)C

InChI

InChI=1S/C28H35NO3/c1-4-6-16-31-26-12-8-22(9-13-26)18-24-20-29(3)21-25(28(24)30)19-23-10-14-27(15-11-23)32-17-7-5-2/h8-15,18-19H,4-7,16-17,20-21H2,1-3H3/p+1/b24-18+,25-19+