(2Z)-2-[(2-bromophenyl)methylidene]-6-oxidanyl-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-3-one

Systemtic Name: (2Z)-2-[(2-bromophenyl)methylidene]-6-oxidanyl-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-3-one Openeye Name: (2Z)-2-[(2-bromophenyl)methylene]-6-hydroxy-7-(pyrrolidin-1-ium-1-ylmethyl)benzofuran-3-one CAS Name: (2Z)-2-[(2-bromophenyl)methylidene]-6-hydroxy-7-(1-pyrrolidin-1-iumylmethyl)-3-benzofuranone IUPAC Name: (2Z)-2-[(2-bromophenyl)methylidene]-6-hydroxy-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-3-one Traditional Name: (2Z)-2-(2-bromobenzylidene)-6-hydroxy-7-(pyrrolidin-1-ium-1-ylmethyl)coumaran-3-one Formula: C20H19BrNO3+ MolecularWeight: 401.27376

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=C(C=CC3=C2OC(=CC4=CC=CC=C4Br)C3=O)O

Isomeric SMILES

C1CC[NH+](C1)CC2=C(C=CC3=C2O/C(=C\C4=CC=CC=C4Br)/C3=O)O

InChI

InChI=1S/C20H18BrNO3/c21-16-6-2-1-5-13(16)11-18-19(24)14-7-8-17(23)15(20(14)25-18)12-22-9-3-4-10-22/h1-2,5-8,11,23H,3-4,9-10,12H2/p+1/b18-11-