[(1R)-1-(4-ethylphenyl)-2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-1-(4-ethylphenyl)-2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-dimethyl-azanium Openeye Name: [(1R)-1-(4-ethylphenyl)-2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-dimethyl-ammonium CAS Name: [(1R)-1-(4-ethylphenyl)-2-(4-methylsulfonyl-2-nitroanilino)ethyl]-dimethylammonium IUPAC Name: [(1R)-1-(4-ethylphenyl)-2-(4-methylsulfonyl-2-nitroanilino)ethyl]-dimethylazanium Traditional Name: [(1R)-1-(4-ethylphenyl)-2-(4-mesyl-2-nitro-anilino)ethyl]-dimethyl-ammonium Formula: C19H26N3O4S+ MolecularWeight: 392.49244

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(CNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])[NH+](C)C

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](CNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])[NH+](C)C

InChI

InChI=1S/C19H25N3O4S/c1-5-14-6-8-15(9-7-14)19(21(2)3)13-20-17-11-10-16(27(4,25)26)12-18(17)22(23)24/h6-12,19-20H,5,13H2,1-4H3/p+1/t19-/m0/s1