(2Z)-2-[(3-fluorophenyl)methylidene]-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxidanylidene-1-benzofuran-6-olate

Systemtic Name: (2Z)-2-[(3-fluorophenyl)methylidene]-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-2-[(3-fluorophenyl)methylene]-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-2-[(3-fluorophenyl)methylidene]-7-[(4-methyl-1-piperazin-1-iumyl)methyl]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-2-[(3-fluorophenyl)methylidene]-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-2-(3-fluorobenzylidene)-3-keto-7-[(4-methylpiperazin-1-ium-1-yl)methyl]coumaran-6-olate Formula: C21H21FN2O3 MolecularWeight: 368.401443

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=CC4=CC(=CC=C4)F)C3=O)[O-]

Isomeric SMILES

CN1CC[NH+](CC1)CC2=C(C=CC3=C2O/C(=C\C4=CC(=CC=C4)F)/C3=O)[O-]

InChI

InChI=1S/C21H21FN2O3/c1-23-7-9-24(10-8-23)13-17-18(25)6-5-16-20(26)19(27-21(16)17)12-14-3-2-4-15(22)11-14/h2-6,11-12,25H,7-10,13H2,1H3/b19-12-