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

Systemtic Name: (2Z)-2-[(2,3-dimethoxyphenyl)methylidene]-6-oxidanyl-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-3-one Openeye Name: (2Z)-2-[(2,3-dimethoxyphenyl)methylene]-6-hydroxy-7-(pyrrolidin-1-ium-1-ylmethyl)benzofuran-3-one CAS Name: (2Z)-2-[(2,3-dimethoxyphenyl)methylidene]-6-hydroxy-7-(1-pyrrolidin-1-iumylmethyl)-3-benzofuranone IUPAC Name: (2Z)-2-[(2,3-dimethoxyphenyl)methylidene]-6-hydroxy-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-3-one Traditional Name: (2Z)-2-(2,3-dimethoxybenzylidene)-6-hydroxy-7-(pyrrolidin-1-ium-1-ylmethyl)coumaran-3-one Formula: C22H24NO5+ MolecularWeight: 382.42966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C=C2C(=O)C3=C(O2)C(=C(C=C3)O)C[NH+]4CCCC4

Isomeric SMILES

COC1=CC=CC(=C1OC)/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)O)C[NH+]4CCCC4

InChI

InChI=1S/C22H23NO5/c1-26-18-7-5-6-14(21(18)27-2)12-19-20(25)15-8-9-17(24)16(22(15)28-19)13-23-10-3-4-11-23/h5-9,12,24H,3-4,10-11,13H2,1-2H3/p+1/b19-12-