[(1S)-2-[2-(5-fluoranyl-2-nitro-phenoxy)ethanoylamino]-1-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[2-(5-fluoranyl-2-nitro-phenoxy)ethanoylamino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[[2-(5-fluoro-2-nitro-phenoxy)acetyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[2-(5-fluoro-2-nitrophenoxy)-1-oxoethyl]amino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[[2-(5-fluoro-2-nitrophenoxy)acetyl]amino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[[2-(5-fluoro-2-nitro-phenoxy)acetyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C18H21FN3O4+ MolecularWeight: 362.375443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)COC1=C(C=CC(=C1)F)[N+](=O)[O-])C2=CC=CC=C2

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)COC1=C(C=CC(=C1)F)[N+](=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C18H20FN3O4/c1-21(2)16(13-6-4-3-5-7-13)11-20-18(23)12-26-17-10-14(19)8-9-15(17)22(24)25/h3-10,16H,11-12H2,1-2H3,(H,20,23)/p+1/t16-/m1/s1