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

Systemtic Name: (2Z)-3-oxidanylidene-7-(pyrrolidin-1-ium-1-ylmethyl)-2-[(3,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-6-olate Openeye Name: (2Z)-3-oxo-7-(pyrrolidin-1-ium-1-ylmethyl)-2-[(3,4,5-trimethoxyphenyl)methylene]benzofuran-6-olate CAS Name: (2Z)-3-oxo-7-(1-pyrrolidin-1-iumylmethyl)-2-[(3,4,5-trimethoxyphenyl)methylidene]-6-benzofuranolate IUPAC Name: (2Z)-3-oxo-7-(pyrrolidin-1-ium-1-ylmethyl)-2-[(3,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-6-olate Traditional Name: (2Z)-3-keto-7-(pyrrolidin-1-ium-1-ylmethyl)-2-(3,4,5-trimethoxybenzylidene)coumaran-6-olate Formula: C23H25NO6 MolecularWeight: 411.4477

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO6/c1-27-19-11-14(12-20(28-2)23(19)29-3)10-18-21(26)15-6-7-17(25)16(22(15)30-18)13-24-8-4-5-9-24/h6-7,10-12,25H,4-5,8-9,13H2,1-3H3/b18-10-