(2Z)-3-oxidanylidene-7-(piperidin-1-ium-1-ylmethyl)-2-[(3,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-6-olate

Systemtic Name: (2Z)-3-oxidanylidene-7-(piperidin-1-ium-1-ylmethyl)-2-[(3,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-6-olate Openeye Name: (2Z)-3-oxo-7-(piperidin-1-ium-1-ylmethyl)-2-[(3,4,5-trimethoxyphenyl)methylene]benzofuran-6-olate CAS Name: (2Z)-3-oxo-7-(1-piperidin-1-iumylmethyl)-2-[(3,4,5-trimethoxyphenyl)methylidene]-6-benzofuranolate IUPAC Name: (2Z)-3-oxo-7-(piperidin-1-ium-1-ylmethyl)-2-[(3,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-6-olate Traditional Name: (2Z)-3-keto-7-(piperidin-1-ium-1-ylmethyl)-2-(3,4,5-trimethoxybenzylidene)coumaran-6-olate Formula: C24H27NO6 MolecularWeight: 425.47428

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C=C2C(=O)C3=C(O2)C(=C(C=C3)[O-])C[NH+]4CCCCC4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)[O-])C[NH+]4CCCCC4

InChI

InChI=1S/C24H27NO6/c1-28-20-12-15(13-21(29-2)24(20)30-3)11-19-22(27)16-7-8-18(26)17(23(16)31-19)14-25-9-5-4-6-10-25/h7-8,11-13,26H,4-6,9-10,14H2,1-3H3/b19-11-