carboxymethyl-dimethyl-[3-[[3-[tris(bromanyl)methylsulfonyl]phenyl]carbonylamino]phenyl]azanium

Systemtic Name: carboxymethyl-dimethyl-[3-[[3-[tris(bromanyl)methylsulfonyl]phenyl]carbonylamino]phenyl]azanium Openeye Name: carboxymethyl-dimethyl-[3-[[3-(tribromomethylsulfonyl)benzoyl]amino]phenyl]ammonium CAS Name: carboxymethyl-dimethyl-[3-[[oxo-[3-(tribromomethylsulfonyl)phenyl]methyl]amino]phenyl]ammonium IUPAC Name: carboxymethyl-dimethyl-[3-[[3-(tribromomethylsulfonyl)benzoyl]amino]phenyl]azanium Traditional Name: carboxymethyl-dimethyl-[3-[[3-(tribromomethylsulfonyl)benzoyl]amino]phenyl]ammonium Formula: C18H18Br3N2O5S+ MolecularWeight: 614.12292

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CC(=O)O)C1=CC=CC(=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)C(Br)(Br)Br

Isomeric SMILES

C[N+](C)(CC(=O)O)C1=CC=CC(=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)C(Br)(Br)Br

InChI

InChI=1S/C18H17Br3N2O5S/c1-23(2,11-16(24)25)14-7-4-6-13(10-14)22-17(26)12-5-3-8-15(9-12)29(27,28)18(19,20)21/h3-10H,11H2,1-2H3,(H-,22,24,25,26)/p+1