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

Systemtic Name: (3E,5E)-3,5-bis[(2,4-dimethoxyphenyl)methylidene]-1-propyl-piperidin-1-ium-4-one Openeye Name: (3E,5E)-3,5-bis[(2,4-dimethoxyphenyl)methylene]-1-propyl-piperidin-1-ium-4-one CAS Name: (3E,5E)-3,5-bis[(2,4-dimethoxyphenyl)methylidene]-1-propyl-4-piperidin-1-iumone IUPAC Name: (3E,5E)-3,5-bis[(2,4-dimethoxyphenyl)methylidene]-1-propylpiperidin-1-ium-4-one Traditional Name: (3E,5E)-3,5-bis(2,4-dimethoxybenzylidene)-1-propyl-piperidin-1-ium-4-one Formula: C26H32NO5+ MolecularWeight: 438.53598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31NO5/c1-6-11-27-16-20(12-18-7-9-22(29-2)14-24(18)31-4)26(28)21(17-27)13-19-8-10-23(30-3)15-25(19)32-5/h7-10,12-15H,6,11,16-17H2,1-5H3/p+1/b20-12+,21-13+