N-(2-bromanyl-4-nitro-phenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-bromanyl-4-nitro-phenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-bromo-4-nitro-phenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-bromo-4-nitrophenyl)-2-[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-bromo-4-nitrophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-bromo-4-nitro-phenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide Formula: C19H19BrF3N4O3+ MolecularWeight: 488.27837

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C19H18BrF3N4O3/c20-16-11-15(27(29)30)4-5-17(16)24-18(28)12-25-6-8-26(9-7-25)14-3-1-2-13(10-14)19(21,22)23/h1-5,10-11H,6-9,12H2,(H,24,28)/p+1