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

Systemtic Name: (3E,5E)-3,5-bis[(2,4-dipropoxyphenyl)methylidene]-1-methyl-piperidin-1-ium-4-one Openeye Name: (3E,5E)-3,5-bis[(2,4-dipropoxyphenyl)methylene]-1-methyl-piperidin-1-ium-4-one CAS Name: (3E,5E)-3,5-bis[(2,4-dipropoxyphenyl)methylidene]-1-methyl-4-piperidin-1-iumone IUPAC Name: (3E,5E)-3,5-bis[(2,4-dipropoxyphenyl)methylidene]-1-methylpiperidin-1-ium-4-one Traditional Name: (3E,5E)-3,5-bis(2,4-dipropoxybenzylidene)-1-methyl-piperidin-1-ium-4-one Formula: C32H44NO5+ MolecularWeight: 522.69546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C(C=C1)C=C2C[NH+](CC(=CC3=C(C=C(C=C3)OCCC)OCCC)C2=O)C)OCCC

Isomeric SMILES

CCCOC1=CC(=C(C=C1)/C=C\2/C(=O)/C(=C/C3=C(C=C(C=C3)OCCC)OCCC)/C[NH+](C2)C)OCCC

InChI

InChI=1S/C32H43NO5/c1-6-14-35-28-12-10-24(30(20-28)37-16-8-3)18-26-22-33(5)23-27(32(26)34)19-25-11-13-29(36-15-7-2)21-31(25)38-17-9-4/h10-13,18-21H,6-9,14-17,22-23H2,1-5H3/p+1/b26-18+,27-19+