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

Systemtic Name: [(1S)-1-(2-chlorophenyl)-2-[(2-cyano-4-nitro-phenyl)amino]ethyl]-dimethyl-azanium Openeye Name: [(1S)-1-(2-chlorophenyl)-2-(2-cyano-4-nitro-anilino)ethyl]-dimethyl-ammonium CAS Name: [(1S)-1-(2-chlorophenyl)-2-(2-cyano-4-nitroanilino)ethyl]-dimethylammonium IUPAC Name: [(1S)-1-(2-chlorophenyl)-2-(2-cyano-4-nitroanilino)ethyl]-dimethylazanium Traditional Name: [(1S)-1-(2-chlorophenyl)-2-(2-cyano-4-nitro-anilino)ethyl]-dimethyl-ammonium Formula: C17H18ClN4O2+ MolecularWeight: 345.80342

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC1=C(C=C(C=C1)[N+](=O)[O-])C#N)C2=CC=CC=C2Cl

Isomeric SMILES

C[NH+](C)[C@H](CNC1=C(C=C(C=C1)[N+](=O)[O-])C#N)C2=CC=CC=C2Cl

InChI

InChI=1S/C17H17ClN4O2/c1-21(2)17(14-5-3-4-6-15(14)18)11-20-16-8-7-13(22(23)24)9-12(16)10-19/h3-9,17,20H,11H2,1-2H3/p+1/t17-/m1/s1