N-(4-fluoranyl-3-nitro-phenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(4-fluoranyl-3-nitro-phenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(4-fluoro-3-nitro-phenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(4-fluoro-3-nitrophenyl)-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(4-fluoro-3-nitrophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(4-fluoro-3-nitro-phenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C18H20FN4O3+ MolecularWeight: 359.374803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19FN4O3/c19-16-7-6-14(12-17(16)23(25)26)20-18(24)13-21-8-10-22(11-9-21)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,20,24)/p+1