(2Z)-7-(morpholin-4-ium-4-ylmethyl)-3-oxidanylidene-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-olate

Systemtic Name: (2Z)-7-(morpholin-4-ium-4-ylmethyl)-3-oxidanylidene-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-olate Openeye Name: (2Z)-7-(morpholin-4-ium-4-ylmethyl)-3-oxo-2-(4-pyridylmethylene)benzofuran-6-olate CAS Name: (2Z)-7-(4-morpholin-4-iumylmethyl)-3-oxo-2-(pyridin-4-ylmethylidene)-6-benzofuranolate IUPAC Name: (2Z)-7-(morpholin-4-ium-4-ylmethyl)-3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-olate Traditional Name: (2Z)-3-keto-7-(morpholin-4-ium-4-ylmethyl)-2-(4-pyridylmethylene)coumaran-6-olate Formula: C19H18N2O4 MolecularWeight: 338.35722

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=C(C=CC3=C2OC(=CC4=CC=NC=C4)C3=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CC2=C(C=CC3=C2O/C(=C\C4=CC=NC=C4)/C3=O)[O-]

InChI

InChI=1S/C19H18N2O4/c22-16-2-1-14-18(23)17(11-13-3-5-20-6-4-13)25-19(14)15(16)12-21-7-9-24-10-8-21/h1-6,11,22H,7-10,12H2/b17-11-