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

Systemtic Name: (3E,5E)-3,5-bis[(4-hexoxyphenyl)methylidene]-1-methyl-piperidin-1-ium-4-one Openeye Name: (3E,5E)-3,5-bis[(4-hexoxyphenyl)methylene]-1-methyl-piperidin-1-ium-4-one CAS Name: (3E,5E)-3,5-bis[(4-hexoxyphenyl)methylidene]-1-methyl-4-piperidin-1-iumone IUPAC Name: (3E,5E)-3,5-bis[(4-hexoxyphenyl)methylidene]-1-methylpiperidin-1-ium-4-one Traditional Name: (3E,5E)-3,5-bis(4-hexoxybenzylidene)-1-methyl-piperidin-1-ium-4-one Formula: C32H44NO3+ MolecularWeight: 490.69666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C=C2C[NH+](CC(=CC3=CC=C(C=C3)OCCCCCC)C2=O)C

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)/C=C\2/C(=O)/C(=C/C3=CC=C(C=C3)OCCCCCC)/C[NH+](C2)C

InChI

InChI=1S/C32H43NO3/c1-4-6-8-10-20-35-30-16-12-26(13-17-30)22-28-24-33(3)25-29(32(28)34)23-27-14-18-31(19-15-27)36-21-11-9-7-5-2/h12-19,22-23H,4-11,20-21,24-25H2,1-3H3/p+1/b28-22+,29-23+