N-[5-(4-bromanylphenoxy)-2-(trifluoromethyl)phenyl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[5-(4-bromanylphenoxy)-2-(trifluoromethyl)phenyl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[5-(4-bromophenoxy)-2-(trifluoromethyl)phenyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide CAS Name: N-[5-(4-bromophenoxy)-2-(trifluoromethyl)phenyl]-2-(3-oxo-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[5-(4-bromophenoxy)-2-(trifluoromethyl)phenyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide Traditional Name: N-[5-(4-bromophenoxy)-2-(trifluoromethyl)phenyl]-2-(3-ketopiperazin-1-ium-1-yl)acetamide Formula: C19H18BrF3N3O3+ MolecularWeight: 473.26373

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(=O)N1)CC(=O)NC2=C(C=CC(=C2)OC3=CC=C(C=C3)Br)C(F)(F)F

Isomeric SMILES

C1C[NH+](CC(=O)N1)CC(=O)NC2=C(C=CC(=C2)OC3=CC=C(C=C3)Br)C(F)(F)F

InChI

InChI=1S/C19H17BrF3N3O3/c20-12-1-3-13(4-2-12)29-14-5-6-15(19(21,22)23)16(9-14)25-18(28)11-26-8-7-24-17(27)10-26/h1-6,9H,7-8,10-11H2,(H,24,27)(H,25,28)/p+1