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

Systemtic Name: (2Z)-2-[(2,4-dichlorophenyl)methylidene]-3-oxidanylidene-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Openeye Name: (2Z)-2-[(2,4-dichlorophenyl)methylene]-3-oxo-7-(piperidin-1-ium-1-ylmethyl)benzofuran-6-olate CAS Name: (2Z)-2-[(2,4-dichlorophenyl)methylidene]-3-oxo-7-(1-piperidin-1-iumylmethyl)-6-benzofuranolate IUPAC Name: (2Z)-2-[(2,4-dichlorophenyl)methylidene]-3-oxo-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Traditional Name: (2Z)-2-(2,4-dichlorobenzylidene)-3-keto-7-(piperidin-1-ium-1-ylmethyl)coumaran-6-olate Formula: C21H19Cl2NO3 MolecularWeight: 404.28646

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=CC4=C(C=C(C=C4)Cl)Cl)C3=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CC2=C(C=CC3=C2O/C(=C\C4=C(C=C(C=C4)Cl)Cl)/C3=O)[O-]

InChI

InChI=1S/C21H19Cl2NO3/c22-14-5-4-13(17(23)11-14)10-19-20(26)15-6-7-18(25)16(21(15)27-19)12-24-8-2-1-3-9-24/h4-7,10-11,25H,1-3,8-9,12H2/b19-10-