[(2S,3S)-1-[(3-bromophenyl)amino]-3-methyl-1-oxidanylidene-pentan-2-yl]azanium

Systemtic Name: [(2S,3S)-1-[(3-bromophenyl)amino]-3-methyl-1-oxidanylidene-pentan-2-yl]azanium Openeye Name: [(1S,2S)-1-[(3-bromophenyl)carbamoyl]-2-methyl-butyl]ammonium CAS Name: [(2S,3S)-1-(3-bromoanilino)-3-methyl-1-oxopentan-2-yl]ammonium IUPAC Name: [(2S,3S)-1-(3-bromoanilino)-3-methyl-1-oxopentan-2-yl]azanium Traditional Name: [(1S,2S)-1-[(3-bromophenyl)carbamoyl]-2-methyl-butyl]ammonium Formula: C12H18BrN2O+ MolecularWeight: 286.18812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17BrN2O/c1-3-8(2)11(14)12(16)15-10-6-4-5-9(13)7-10/h4-8,11H,3,14H2,1-2H3,(H,15,16)/p+1/t8-,11-/m0/s1