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

Systemtic Name: [(2S)-1-[[4-bromanyl-2-(phenylcarbonyl)phenyl]amino]-1-oxidanylidene-propan-2-yl]-dimethyl-azanium Openeye Name: [(1S)-2-(2-benzoyl-4-bromo-anilino)-1-methyl-2-oxo-ethyl]-dimethyl-ammonium CAS Name: [(2S)-1-(2-benzoyl-4-bromoanilino)-1-oxopropan-2-yl]-dimethylammonium IUPAC Name: [(2S)-1-(2-benzoyl-4-bromoanilino)-1-oxopropan-2-yl]-dimethylazanium Traditional Name: [(1S)-2-(2-benzoyl-4-bromo-anilino)-2-keto-1-methyl-ethyl]-dimethyl-ammonium Formula: C18H20BrN2O2+ MolecularWeight: 376.2676

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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)[NH+](C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrN2O2/c1-12(21(2)3)18(23)20-16-10-9-14(19)11-15(16)17(22)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,20,23)/p+1/t12-/m0/s1