2-[[3-[[2-(2-acetamido-5-bromanyl-phenyl)-2-oxidanylidene-ethanoyl]amino]phenyl]carbonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[3-[[2-(2-acetamido-5-bromanyl-phenyl)-2-oxidanylidene-ethanoyl]amino]phenyl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[3-[[2-(2-acetamido-5-bromo-phenyl)-2-oxo-acetyl]amino]benzoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[3-[[2-(2-acetamido-5-bromophenyl)-1,2-dioxoethyl]amino]phenyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[3-[[2-(2-acetamido-5-bromophenyl)-2-oxoacetyl]amino]benzoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[3-[[2-(2-acetamido-5-bromo-phenyl)-2-keto-acetyl]amino]benzoyl]amino]ethyl-dimethyl-ammonium Formula: C21H24BrN4O4+ MolecularWeight: 476.34366

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)Br)C(=O)C(=O)NC2=CC=CC(=C2)C(=O)NCC[NH+](C)C

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)Br)C(=O)C(=O)NC2=CC=CC(=C2)C(=O)NCC[NH+](C)C

InChI

InChI=1S/C21H23BrN4O4/c1-13(27)24-18-8-7-15(22)12-17(18)19(28)21(30)25-16-6-4-5-14(11-16)20(29)23-9-10-26(2)3/h4-8,11-12H,9-10H2,1-3H3,(H,23,29)(H,24,27)(H,25,30)/p+1