(2Z)-7-(morpholin-4-ium-4-ylmethyl)-3-oxidanylidene-2-[(E)-3-phenylprop-2-enylidene]-1-benzofuran-6-olate

Systemtic Name: (2Z)-7-(morpholin-4-ium-4-ylmethyl)-3-oxidanylidene-2-[(E)-3-phenylprop-2-enylidene]-1-benzofuran-6-olate Openeye Name: (2Z)-7-(morpholin-4-ium-4-ylmethyl)-3-oxo-2-[(E)-3-phenylprop-2-enylidene]benzofuran-6-olate CAS Name: (2Z)-7-(4-morpholin-4-iumylmethyl)-3-oxo-2-[(E)-3-phenylprop-2-enylidene]-6-benzofuranolate IUPAC Name: (2Z)-7-(morpholin-4-ium-4-ylmethyl)-3-oxo-2-[(E)-3-phenylprop-2-enylidene]-1-benzofuran-6-olate Traditional Name: (2Z)-3-keto-7-(morpholin-4-ium-4-ylmethyl)-2-[(E)-3-phenylprop-2-enylidene]coumaran-6-olate Formula: C22H21NO4 MolecularWeight: 363.40644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO4/c24-19-10-9-17-21(25)20(8-4-7-16-5-2-1-3-6-16)27-22(17)18(19)15-23-11-13-26-14-12-23/h1-10,24H,11-15H2/b7-4+,20-8-