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

Systemtic Name: (2Z)-6-oxidanyl-7-(pyrrolidin-1-ium-1-ylmethyl)-2-[(2,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-3-one Openeye Name: (2Z)-6-hydroxy-7-(pyrrolidin-1-ium-1-ylmethyl)-2-[(2,4,5-trimethoxyphenyl)methylene]benzofuran-3-one CAS Name: (2Z)-6-hydroxy-7-(1-pyrrolidin-1-iumylmethyl)-2-[(2,4,5-trimethoxyphenyl)methylidene]-3-benzofuranone IUPAC Name: (2Z)-6-hydroxy-7-(pyrrolidin-1-ium-1-ylmethyl)-2-[(2,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-3-one Traditional Name: (2Z)-6-hydroxy-7-(pyrrolidin-1-ium-1-ylmethyl)-2-(2,4,5-trimethoxybenzylidene)coumaran-3-one Formula: C23H26NO6+ MolecularWeight: 412.45564

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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+]4CCCC4)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)O)C[NH+]4CCCC4)OC)OC

InChI

InChI=1S/C23H25NO6/c1-27-18-12-20(29-3)19(28-2)10-14(18)11-21-22(26)15-6-7-17(25)16(23(15)30-21)13-24-8-4-5-9-24/h6-7,10-12,25H,4-5,8-9,13H2,1-3H3/p+1/b21-11-