[(1S)-2-[(2-cyano-4-nitro-phenyl)amino]-1-(3-methoxyphenyl)ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[(2-cyano-4-nitro-phenyl)amino]-1-(3-methoxyphenyl)ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-(2-cyano-4-nitro-anilino)-1-(3-methoxyphenyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-(2-cyano-4-nitroanilino)-1-(3-methoxyphenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-(2-cyano-4-nitroanilino)-1-(3-methoxyphenyl)ethyl]-dimethylazanium Traditional Name: [(1S)-2-(2-cyano-4-nitro-anilino)-1-(3-methoxyphenyl)ethyl]-dimethyl-ammonium Formula: C18H21N4O3+ MolecularWeight: 341.38434

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)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O3/c1-21(2)18(13-5-4-6-16(10-13)25-3)12-20-17-8-7-15(22(23)24)9-14(17)11-19/h4-10,18,20H,12H2,1-3H3/p+1/t18-/m1/s1