6-fluoranyl-N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]methyl]-4H-1,3-benzodioxine-8-carboxamide

Systemtic Name: 6-fluoranyl-N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]methyl]-4H-1,3-benzodioxine-8-carboxamide Openeye Name: 6-fluoro-N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]methyl]-4H-1,3-benzodioxine-8-carboxamide CAS Name: 6-fluoro-N-[[4-(4-methyl-1-piperazin-4-iumyl)phenyl]methyl]-4H-1,3-benzodioxin-8-carboxamide IUPAC Name: 6-fluoro-N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]methyl]-4H-1,3-benzodioxine-8-carboxamide Traditional Name: 6-fluoro-N-[4-(4-methylpiperazin-4-ium-1-yl)benzyl]-4H-1,3-benzodioxin-8-carboxamide Formula: C21H25FN3O3+ MolecularWeight: 386.439903

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)CNC(=O)C3=CC(=CC4=C3OCOC4)F

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)CNC(=O)C3=CC(=CC4=C3OCOC4)F

InChI

InChI=1S/C21H24FN3O3/c1-24-6-8-25(9-7-24)18-4-2-15(3-5-18)12-23-21(26)19-11-17(22)10-16-13-27-14-28-20(16)19/h2-5,10-11H,6-9,12-14H2,1H3,(H,23,26)/p+1