[(1S)-2-[(2-cyano-4-nitro-phenyl)amino]-1-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[(2-cyano-4-nitro-phenyl)amino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-(2-cyano-4-nitro-anilino)-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-(2-cyano-4-nitroanilino)-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-(2-cyano-4-nitroanilino)-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-(2-cyano-4-nitro-anilino)-1-phenyl-ethyl]-dimethyl-ammonium Formula: C17H19N4O2+ MolecularWeight: 311.35836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC1=C(C=C(C=C1)[N+](=O)[O-])C#N)C2=CC=CC=C2

Isomeric SMILES

C[NH+](C)[C@H](CNC1=C(C=C(C=C1)[N+](=O)[O-])C#N)C2=CC=CC=C2

InChI

InChI=1S/C17H18N4O2/c1-20(2)17(13-6-4-3-5-7-13)12-19-16-9-8-15(21(22)23)10-14(16)11-18/h3-10,17,19H,12H2,1-2H3/p+1/t17-/m1/s1