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

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

Click to see the large picture

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/b21-11-