(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-4-methyl-3-oxidanylidene-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate

Systemtic Name: (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-4-methyl-3-oxidanylidene-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Openeye Name: (2Z)-2-[(3,4-dimethoxyphenyl)methylene]-4-methyl-3-oxo-7-(pyrrolidin-1-ium-1-ylmethyl)benzofuran-6-olate CAS Name: (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-4-methyl-3-oxo-7-(1-pyrrolidin-1-iumylmethyl)-6-benzofuranolate IUPAC Name: (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-4-methyl-3-oxo-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Traditional Name: (2Z)-3-keto-4-methyl-7-(pyrrolidin-1-ium-1-ylmethyl)-2-veratrylidene-coumaran-6-olate Formula: C23H25NO5 MolecularWeight: 395.4483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1C(=O)C(=CC3=CC(=C(C=C3)OC)OC)O2)C[NH+]4CCCC4)[O-]

Isomeric SMILES

CC1=CC(=C(C2=C1C(=O)/C(=C/C3=CC(=C(C=C3)OC)OC)/O2)C[NH+]4CCCC4)[O-]

InChI

InChI=1S/C23H25NO5/c1-14-10-17(25)16(13-24-8-4-5-9-24)23-21(14)22(26)20(29-23)12-15-6-7-18(27-2)19(11-15)28-3/h6-7,10-12,25H,4-5,8-9,13H2,1-3H3/b20-12-