(2Z)-2-[(6-bromanyl-4H-1,3-benzodioxin-8-yl)methylidene]-7-(morpholin-4-ium-4-ylmethyl)-6-oxidanyl-1-benzofuran-3-one

Systemtic Name: (2Z)-2-[(6-bromanyl-4H-1,3-benzodioxin-8-yl)methylidene]-7-(morpholin-4-ium-4-ylmethyl)-6-oxidanyl-1-benzofuran-3-one Openeye Name: (2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylene]-6-hydroxy-7-(morpholin-4-ium-4-ylmethyl)benzofuran-3-one CAS Name: (2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylidene]-6-hydroxy-7-(4-morpholin-4-iumylmethyl)-3-benzofuranone IUPAC Name: (2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylidene]-6-hydroxy-7-(morpholin-4-ium-4-ylmethyl)-1-benzofuran-3-one Traditional Name: (2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylene]-6-hydroxy-7-(morpholin-4-ium-4-ylmethyl)coumaran-3-one Formula: C22H21BrNO6+ MolecularWeight: 475.30924

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=C(C=CC3=C2OC(=CC4=CC(=CC5=C4OCOC5)Br)C3=O)O

Isomeric SMILES

C1COCC[NH+]1CC2=C(C=CC3=C2O/C(=C\C4=CC(=CC5=C4OCOC5)Br)/C3=O)O

InChI

InChI=1S/C22H20BrNO6/c23-15-7-13(21-14(8-15)11-28-12-29-21)9-19-20(26)16-1-2-18(25)17(22(16)30-19)10-24-3-5-27-6-4-24/h1-2,7-9,25H,3-6,10-12H2/p+1/b19-9-