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

Systemtic Name: [(2S,3S)-1-[(4-bromanyl-2-fluoranyl-phenyl)amino]-3-methyl-1-oxidanylidene-pentan-2-yl]azanium Openeye Name: [(1S,2S)-1-[(4-bromo-2-fluoro-phenyl)carbamoyl]-2-methyl-butyl]ammonium CAS Name: [(2S,3S)-1-(4-bromo-2-fluoroanilino)-3-methyl-1-oxopentan-2-yl]ammonium IUPAC Name: [(2S,3S)-1-(4-bromo-2-fluoroanilino)-3-methyl-1-oxopentan-2-yl]azanium Traditional Name: [(1S,2S)-1-[(4-bromo-2-fluoro-phenyl)carbamoyl]-2-methyl-butyl]ammonium Formula: C12H17BrFN2O+ MolecularWeight: 304.178583

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=C(C=C(C=C1)Br)F)[NH3+]

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NC1=C(C=C(C=C1)Br)F)[NH3+]

InChI

InChI=1S/C12H16BrFN2O/c1-3-7(2)11(15)12(17)16-10-5-4-8(13)6-9(10)14/h4-7,11H,3,15H2,1-2H3,(H,16,17)/p+1/t7-,11-/m0/s1