[(1S)-2-[2-(4-methoxy-2-nitro-phenoxy)ethanoylamino]-1-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[2-(4-methoxy-2-nitro-phenoxy)ethanoylamino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[[2-(4-methoxy-2-nitro-phenoxy)acetyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[2-(4-methoxy-2-nitrophenoxy)-1-oxoethyl]amino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[[2-(4-methoxy-2-nitrophenoxy)acetyl]amino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[[2-(4-methoxy-2-nitro-phenoxy)acetyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C19H24N3O5+ MolecularWeight: 374.41096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O5/c1-21(2)17(14-7-5-4-6-8-14)12-20-19(23)13-27-18-10-9-15(26-3)11-16(18)22(24)25/h4-11,17H,12-13H2,1-3H3,(H,20,23)/p+1/t17-/m1/s1