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

Systemtic Name: (3Z,5E)-3,5-bis[(2,3-dimethoxyphenyl)methylidene]-1-ethyl-piperidin-1-ium-4-one Openeye Name: (3Z,5E)-3,5-bis[(2,3-dimethoxyphenyl)methylene]-1-ethyl-piperidin-1-ium-4-one CAS Name: (3Z,5E)-3,5-bis[(2,3-dimethoxyphenyl)methylidene]-1-ethyl-4-piperidin-1-iumone IUPAC Name: (3Z,5E)-3,5-bis[(2,3-dimethoxyphenyl)methylidene]-1-ethylpiperidin-1-ium-4-one Traditional Name: (3Z,5E)-3,5-bis(2,3-dimethoxybenzylidene)-1-ethyl-piperidin-1-ium-4-one Formula: C25H30NO5+ MolecularWeight: 424.5094

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Descriptors Computed from Structure

Canonical SMILES:

CC[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

InChI

InChI=1S/C25H29NO5/c1-6-26-15-19(13-17-9-7-11-21(28-2)24(17)30-4)23(27)20(16-26)14-18-10-8-12-22(29-3)25(18)31-5/h7-14H,6,15-16H2,1-5H3/p+1/b19-13-,20-14+