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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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