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

Systemtic Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-2-[(2-fluorophenyl)methylidene]-6-oxidanyl-1-benzofuran-3-one Openeye Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-2-[(2-fluorophenyl)methylene]-6-hydroxy-benzofuran-3-one CAS Name: (2Z)-7-(1-azepan-1-iumylmethyl)-2-[(2-fluorophenyl)methylidene]-6-hydroxy-3-benzofuranone IUPAC Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-2-[(2-fluorophenyl)methylidene]-6-hydroxy-1-benzofuran-3-one Traditional Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-2-(2-fluorobenzylidene)-6-hydroxy-coumaran-3-one Formula: C22H23FNO3+ MolecularWeight: 368.421323

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=C(C=CC3=C2OC(=CC4=CC=CC=C4F)C3=O)O

Isomeric SMILES

C1CCC[NH+](CC1)CC2=C(C=CC3=C2O/C(=C\C4=CC=CC=C4F)/C3=O)O

InChI

InChI=1S/C22H22FNO3/c23-18-8-4-3-7-15(18)13-20-21(26)16-9-10-19(25)17(22(16)27-20)14-24-11-5-1-2-6-12-24/h3-4,7-10,13,25H,1-2,5-6,11-12,14H2/p+1/b20-13-