N-(2-bromanyl-4-nitro-phenyl)-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(2-bromanyl-4-nitro-phenyl)-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanamide Openeye Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-bromo-4-nitro-phenyl)acetamide CAS Name: 2-(4-acetyl-1-piperazin-1-iumyl)-N-(2-bromo-4-nitrophenyl)acetamide IUPAC Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-bromo-4-nitrophenyl)acetamide Traditional Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-bromo-4-nitro-phenyl)acetamide Formula: C14H18BrN4O4+ MolecularWeight: 386.22112

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C14H17BrN4O4/c1-10(20)18-6-4-17(5-7-18)9-14(21)16-13-3-2-11(19(22)23)8-12(13)15/h2-3,8H,4-7,9H2,1H3,(H,16,21)/p+1