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

Systemtic Name: [(2S)-1-[(4-bromanyl-2-methyl-phenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-[(4-bromo-2-methyl-phenyl)carbamoyl]-2-methyl-propyl]ammonium CAS Name: [(2S)-1-(4-bromo-2-methylanilino)-3-methyl-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-(4-bromo-2-methylanilino)-3-methyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-[(4-bromo-2-methyl-phenyl)carbamoyl]-2-methyl-propyl]ammonium Formula: C12H18BrN2O+ MolecularWeight: 286.18812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)C(C(C)C)[NH3+]

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)[C@H](C(C)C)[NH3+]

InChI

InChI=1S/C12H17BrN2O/c1-7(2)11(14)12(16)15-10-5-4-9(13)6-8(10)3/h4-7,11H,14H2,1-3H3,(H,15,16)/p+1/t11-/m0/s1