[(1R)-2-[2-(2-chloranyl-4-nitro-phenoxy)ethanoylamino]-1-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-2-[2-(2-chloranyl-4-nitro-phenoxy)ethanoylamino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1R)-2-[[2-(2-chloro-4-nitro-phenoxy)acetyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1R)-2-[[2-(2-chloro-4-nitrophenoxy)-1-oxoethyl]amino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1R)-2-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1R)-2-[[2-(2-chloro-4-nitro-phenoxy)acetyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C18H21ClN3O4+ MolecularWeight: 378.83004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN3O4/c1-21(2)16(13-6-4-3-5-7-13)11-20-18(23)12-26-17-9-8-14(22(24)25)10-15(17)19/h3-10,16H,11-12H2,1-2H3,(H,20,23)/p+1/t16-/m0/s1