[(2S)-1-[(4-bromanyl-2,6-dimethyl-phenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2S)-1-[(4-bromanyl-2,6-dimethyl-phenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-[(4-bromo-2,6-dimethyl-phenyl)carbamoyl]-2-methyl-propyl]ammonium CAS Name: [(2S)-1-(4-bromo-2,6-dimethylanilino)-3-methyl-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-(4-bromo-2,6-dimethylanilino)-3-methyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-[(4-bromo-2,6-dimethyl-phenyl)carbamoyl]-2-methyl-propyl]ammonium Formula: C13H20BrN2O+ MolecularWeight: 300.2147

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)C(C(C)C)[NH3+])C)Br

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)[C@H](C(C)C)[NH3+])C)Br

InChI

InChI=1S/C13H19BrN2O/c1-7(2)11(15)13(17)16-12-8(3)5-10(14)6-9(12)4/h5-7,11H,15H2,1-4H3,(H,16,17)/p+1/t11-/m0/s1