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

Systemtic Name: (2Z)-6-oxidanyl-7-(piperidin-1-ium-1-ylmethyl)-2-[(2,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-3-one Openeye Name: (2Z)-6-hydroxy-7-(piperidin-1-ium-1-ylmethyl)-2-[(2,4,5-trimethoxyphenyl)methylene]benzofuran-3-one CAS Name: (2Z)-6-hydroxy-7-(1-piperidin-1-iumylmethyl)-2-[(2,4,5-trimethoxyphenyl)methylidene]-3-benzofuranone IUPAC Name: (2Z)-6-hydroxy-7-(piperidin-1-ium-1-ylmethyl)-2-[(2,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-3-one Traditional Name: (2Z)-6-hydroxy-7-(piperidin-1-ium-1-ylmethyl)-2-(2,4,5-trimethoxybenzylidene)coumaran-3-one Formula: C24H28NO6+ MolecularWeight: 426.48222

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C=C2C(=O)C3=C(O2)C(=C(C=C3)O)C[NH+]4CCCCC4)OC)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)OC

InChI

InChI=1S/C24H27NO6/c1-28-19-13-21(30-3)20(29-2)11-15(19)12-22-23(27)16-7-8-18(26)17(24(16)31-22)14-25-9-5-4-6-10-25/h7-8,11-13,26H,4-6,9-10,14H2,1-3H3/p+1/b22-12-