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

Systemtic Name: (2Z)-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-2-[(3-fluorophenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-2-[(3-fluorophenyl)methylene]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-7-[(4-ethyl-1-piperazin-1-iumyl)methyl]-2-[(3-fluorophenyl)methylidene]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-2-[(3-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-2-(3-fluorobenzylidene)-3-keto-coumaran-6-olate Formula: C22H23FN2O3 MolecularWeight: 382.428023

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=CC4=CC(=CC=C4)F)C3=O)[O-]

Isomeric SMILES

CCN1CC[NH+](CC1)CC2=C(C=CC3=C2O/C(=C\C4=CC(=CC=C4)F)/C3=O)[O-]

InChI

InChI=1S/C22H23FN2O3/c1-2-24-8-10-25(11-9-24)14-18-19(26)7-6-17-21(27)20(28-22(17)18)13-15-4-3-5-16(23)12-15/h3-7,12-13,26H,2,8-11,14H2,1H3/b20-13-