[(1S)-1-(3,4-dimethoxyphenyl)-2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-1-(3,4-dimethoxyphenyl)-2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-dimethyl-azanium Openeye Name: [(1S)-1-(3,4-dimethoxyphenyl)-2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-dimethyl-ammonium CAS Name: [(1S)-1-(3,4-dimethoxyphenyl)-2-(4-methylsulfonyl-2-nitroanilino)ethyl]-dimethylammonium IUPAC Name: [(1S)-1-(3,4-dimethoxyphenyl)-2-(4-methylsulfonyl-2-nitroanilino)ethyl]-dimethylazanium Traditional Name: [(1S)-1-(3,4-dimethoxyphenyl)-2-(4-mesyl-2-nitro-anilino)ethyl]-dimethyl-ammonium Formula: C19H26N3O6S+ MolecularWeight: 424.49124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O6S/c1-21(2)17(13-6-9-18(27-3)19(10-13)28-4)12-20-15-8-7-14(29(5,25)26)11-16(15)22(23)24/h6-11,17,20H,12H2,1-5H3/p+1/t17-/m1/s1