[(2S)-1-[[4-bromanyl-2-(phenylcarbonyl)phenyl]amino]-1-oxidanylidene-propan-2-yl]-tert-butyl-azanium

Systemtic Name: [(2S)-1-[[4-bromanyl-2-(phenylcarbonyl)phenyl]amino]-1-oxidanylidene-propan-2-yl]-tert-butyl-azanium Openeye Name: [(1S)-2-(2-benzoyl-4-bromo-anilino)-1-methyl-2-oxo-ethyl]-tert-butyl-ammonium CAS Name: [(2S)-1-(2-benzoyl-4-bromoanilino)-1-oxopropan-2-yl]-tert-butylammonium IUPAC Name: [(2S)-1-(2-benzoyl-4-bromoanilino)-1-oxopropan-2-yl]-tert-butylazanium Traditional Name: [(1S)-2-(2-benzoyl-4-bromo-anilino)-2-keto-1-methyl-ethyl]-tert-butyl-ammonium Formula: C20H24BrN2O2+ MolecularWeight: 404.32076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)Br)C(=O)C2=CC=CC=C2)[NH2+]C(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=C(C=C1)Br)C(=O)C2=CC=CC=C2)[NH2+]C(C)(C)C

InChI

InChI=1S/C20H23BrN2O2/c1-13(23-20(2,3)4)19(25)22-17-11-10-15(21)12-16(17)18(24)14-8-6-5-7-9-14/h5-13,23H,1-4H3,(H,22,25)/p+1/t13-/m0/s1