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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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