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

Systemtic Name: (3E,5E)-1-methyl-3,5-bis[(3,4,5-trimethoxyphenyl)methylidene]piperidin-1-ium-4-one Openeye Name: (3E,5E)-1-methyl-3,5-bis[(3,4,5-trimethoxyphenyl)methylene]piperidin-1-ium-4-one CAS Name: (3E,5E)-1-methyl-3,5-bis[(3,4,5-trimethoxyphenyl)methylidene]-4-piperidin-1-iumone IUPAC Name: (3E,5E)-1-methyl-3,5-bis[(3,4,5-trimethoxyphenyl)methylidene]piperidin-1-ium-4-one Traditional Name: (3E,5E)-1-methyl-3,5-bis(3,4,5-trimethoxybenzylidene)piperidin-1-ium-4-one Formula: C26H32NO7+ MolecularWeight: 470.53478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31NO7/c1-27-14-18(8-16-10-20(29-2)25(33-6)21(11-16)30-3)24(28)19(15-27)9-17-12-22(31-4)26(34-7)23(13-17)32-5/h8-13H,14-15H2,1-7H3/p+1/b18-8+,19-9+