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

Systemtic Name: [(2S,3S)-1-[(4-bromanyl-3-methyl-phenyl)amino]-3-methyl-1-oxidanylidene-pentan-2-yl]azanium Openeye Name: [(1S,2S)-1-[(4-bromo-3-methyl-phenyl)carbamoyl]-2-methyl-butyl]ammonium CAS Name: [(2S,3S)-1-(4-bromo-3-methylanilino)-3-methyl-1-oxopentan-2-yl]ammonium IUPAC Name: [(2S,3S)-1-(4-bromo-3-methylanilino)-3-methyl-1-oxopentan-2-yl]azanium Traditional Name: [(1S,2S)-1-[(4-bromo-3-methyl-phenyl)carbamoyl]-2-methyl-butyl]ammonium Formula: C13H20BrN2O+ MolecularWeight: 300.2147

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19BrN2O/c1-4-8(2)12(15)13(17)16-10-5-6-11(14)9(3)7-10/h5-8,12H,4,15H2,1-3H3,(H,16,17)/p+1/t8-,12-/m0/s1