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

Systemtic Name: [(2S)-1-[(4-bromanyl-2,6-dimethyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [(1S)-2-(4-bromo-2,6-dimethyl-anilino)-1-methyl-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-(4-bromo-2,6-dimethylanilino)-1-oxopropan-2-yl]ammonium IUPAC Name: [(2S)-1-(4-bromo-2,6-dimethylanilino)-1-oxopropan-2-yl]azanium Traditional Name: [(1S)-2-(4-bromo-2,6-dimethyl-anilino)-2-keto-1-methyl-ethyl]ammonium Formula: C11H16BrN2O+ MolecularWeight: 272.16154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15BrN2O/c1-6-4-9(12)5-7(2)10(6)14-11(15)8(3)13/h4-5,8H,13H2,1-3H3,(H,14,15)/p+1/t8-/m0/s1