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

Systemtic Name: (2Z)-2-[(6-bromanyl-4H-1,3-benzodioxin-8-yl)methylidene]-6-oxidanyl-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-3-one Openeye Name: (2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylene]-6-hydroxy-7-(pyrrolidin-1-ium-1-ylmethyl)benzofuran-3-one CAS Name: (2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylidene]-6-hydroxy-7-(1-pyrrolidin-1-iumylmethyl)-3-benzofuranone IUPAC Name: (2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylidene]-6-hydroxy-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-3-one Traditional Name: (2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylene]-6-hydroxy-7-(pyrrolidin-1-ium-1-ylmethyl)coumaran-3-one Formula: C22H21BrNO5+ MolecularWeight: 459.30984

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=C(C=CC3=C2OC(=CC4=CC(=CC5=C4OCOC5)Br)C3=O)O

Isomeric SMILES

C1CC[NH+](C1)CC2=C(C=CC3=C2O/C(=C\C4=CC(=CC5=C4OCOC5)Br)/C3=O)O

InChI

InChI=1S/C22H20BrNO5/c23-15-7-13(21-14(8-15)11-27-12-28-21)9-19-20(26)16-3-4-18(25)17(22(16)29-19)10-24-5-1-2-6-24/h3-4,7-9,25H,1-2,5-6,10-12H2/p+1/b19-9-