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

Systemtic Name: [(1S)-2-[(2-chloranyl-4-nitro-phenyl)amino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-(2-chloro-4-nitro-anilino)-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-(2-chloro-4-nitroanilino)-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-(2-chloro-4-nitroanilino)-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-(2-chloro-4-nitro-anilino)-1-phenyl-ethyl]-dimethyl-ammonium Formula: C16H19ClN3O2+ MolecularWeight: 320.79396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClN3O2/c1-19(2)16(12-6-4-3-5-7-12)11-18-15-9-8-13(20(21)22)10-14(15)17/h3-10,16,18H,11H2,1-2H3/p+1/t16-/m1/s1