(2Z)-2-[(2-chloranyl-6-fluoranyl-phenyl)methylidene]-6-oxidanyl-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-one

Systemtic Name: (2Z)-2-[(2-chloranyl-6-fluoranyl-phenyl)methylidene]-6-oxidanyl-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-one Openeye Name: (2Z)-2-[(2-chloro-6-fluoro-phenyl)methylene]-6-hydroxy-7-(piperidin-1-ium-1-ylmethyl)benzofuran-3-one CAS Name: (2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-6-hydroxy-7-(1-piperidin-1-iumylmethyl)-3-benzofuranone IUPAC Name: (2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-6-hydroxy-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-one Traditional Name: (2Z)-2-(2-chloro-6-fluoro-benzylidene)-6-hydroxy-7-(piperidin-1-ium-1-ylmethyl)coumaran-3-one Formula: C21H20ClFNO3+ MolecularWeight: 388.839803

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=CC4=C(C=CC=C4Cl)F)C3=O)O

Isomeric SMILES

C1CC[NH+](CC1)CC2=C(C=CC3=C2O/C(=C\C4=C(C=CC=C4Cl)F)/C3=O)O

InChI

InChI=1S/C21H19ClFNO3/c22-16-5-4-6-17(23)14(16)11-19-20(26)13-7-8-18(25)15(21(13)27-19)12-24-9-2-1-3-10-24/h4-8,11,25H,1-3,9-10,12H2/p+1/b19-11-