(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-7-(morpholin-4-ium-4-ylmethyl)-6-oxidanyl-1-benzofuran-3-one

Systemtic Name: (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-7-(morpholin-4-ium-4-ylmethyl)-6-oxidanyl-1-benzofuran-3-one Openeye Name: (2Z)-2-[(3,4-dimethoxyphenyl)methylene]-6-hydroxy-7-(morpholin-4-ium-4-ylmethyl)benzofuran-3-one CAS Name: (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-6-hydroxy-7-(4-morpholin-4-iumylmethyl)-3-benzofuranone IUPAC Name: (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-6-hydroxy-7-(morpholin-4-ium-4-ylmethyl)-1-benzofuran-3-one Traditional Name: (2Z)-6-hydroxy-7-(morpholin-4-ium-4-ylmethyl)-2-veratrylidene-coumaran-3-one Formula: C22H24NO6+ MolecularWeight: 398.42906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C2C(=O)C3=C(O2)C(=C(C=C3)O)C[NH+]4CCOCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)O)C[NH+]4CCOCC4)OC

InChI

InChI=1S/C22H23NO6/c1-26-18-6-3-14(11-19(18)27-2)12-20-21(25)15-4-5-17(24)16(22(15)29-20)13-23-7-9-28-10-8-23/h3-6,11-12,24H,7-10,13H2,1-2H3/p+1/b20-12-