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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C=C2C(=O)C3=C(O2)C(=C(C=C3)O)C[NH+]4CCCC4)OC)OC

Isomeric SMILES

COC1=C(C(=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/c1-27-18-9-6-14(21(28-2)23(18)29-3)12-19-20(26)15-7-8-17(25)16(22(15)30-19)13-24-10-4-5-11-24/h6-9,12,25H,4-5,10-11,13H2,1-3H3/p+1/b19-12-