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

Systemtic Name: (2Z)-2-[(3-fluorophenyl)methylidene]-6-oxidanyl-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-one Openeye Name: (2Z)-2-[(3-fluorophenyl)methylene]-6-hydroxy-7-(piperidin-1-ium-1-ylmethyl)benzofuran-3-one CAS Name: (2Z)-2-[(3-fluorophenyl)methylidene]-6-hydroxy-7-(1-piperidin-1-iumylmethyl)-3-benzofuranone IUPAC Name: (2Z)-2-[(3-fluorophenyl)methylidene]-6-hydroxy-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-one Traditional Name: (2Z)-2-(3-fluorobenzylidene)-6-hydroxy-7-(piperidin-1-ium-1-ylmethyl)coumaran-3-one Formula: C21H21FNO3+ MolecularWeight: 354.394743

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=CC4=CC(=CC=C4)F)C3=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H20FNO3/c22-15-6-4-5-14(11-15)12-19-20(25)16-7-8-18(24)17(21(16)26-19)13-23-9-2-1-3-10-23/h4-8,11-12,24H,1-3,9-10,13H2/p+1/b19-12-