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

Systemtic Name: (2Z)-2-[(2,4-dimethoxyphenyl)methylidene]-6-oxidanyl-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-one Openeye Name: (2Z)-2-[(2,4-dimethoxyphenyl)methylene]-6-hydroxy-7-(piperidin-1-ium-1-ylmethyl)benzofuran-3-one CAS Name: (2Z)-2-[(2,4-dimethoxyphenyl)methylidene]-6-hydroxy-7-(1-piperidin-1-iumylmethyl)-3-benzofuranone IUPAC Name: (2Z)-2-[(2,4-dimethoxyphenyl)methylidene]-6-hydroxy-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-one Traditional Name: (2Z)-2-(2,4-dimethoxybenzylidene)-6-hydroxy-7-(piperidin-1-ium-1-ylmethyl)coumaran-3-one Formula: C23H26NO5+ MolecularWeight: 396.45624

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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/p+1/b21-12-