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

Systemtic Name: (2Z)-2-[(2,4-dimethoxyphenyl)methylidene]-3-oxidanylidene-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Openeye Name: (2Z)-2-[(2,4-dimethoxyphenyl)methylene]-3-oxo-7-(piperidin-1-ium-1-ylmethyl)benzofuran-6-olate CAS Name: (2Z)-2-[(2,4-dimethoxyphenyl)methylidene]-3-oxo-7-(1-piperidin-1-iumylmethyl)-6-benzofuranolate IUPAC Name: (2Z)-2-[(2,4-dimethoxyphenyl)methylidene]-3-oxo-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Traditional Name: (2Z)-2-(2,4-dimethoxybenzylidene)-3-keto-7-(piperidin-1-ium-1-ylmethyl)coumaran-6-olate Formula: C23H25NO5 MolecularWeight: 395.4483

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C=C2C(=O)C3=C(O2)C(=C(C=C3)[O-])C[NH+]4CCCCC4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)[O-])C[NH+]4CCCCC4)OC

InChI

InChI=1S/C23H25NO5/c1-27-16-7-6-15(20(13-16)28-2)12-21-22(26)17-8-9-19(25)18(23(17)29-21)14-24-10-4-3-5-11-24/h6-9,12-13,25H,3-5,10-11,14H2,1-2H3/b21-12-