[(3S)-5-bromanyl-2-oxidanylidene-1,3-dihydroindol-3-yl]-(2-methylbutan-2-yl)azanium

Systemtic Name: [(3S)-5-bromanyl-2-oxidanylidene-1,3-dihydroindol-3-yl]-(2-methylbutan-2-yl)azanium Openeye Name: [(3S)-5-bromo-2-oxo-indolin-3-yl]-(1,1-dimethylpropyl)ammonium CAS Name: [(3S)-5-bromo-2-oxo-1,3-dihydroindol-3-yl]-(2-methylbutan-2-yl)ammonium IUPAC Name: [(3S)-5-bromo-2-oxo-1,3-dihydroindol-3-yl]-(2-methylbutan-2-yl)azanium Traditional Name: tert-amyl-[(3S)-5-bromo-2-keto-indolin-3-yl]ammonium Formula: C13H18BrN2O+ MolecularWeight: 298.19882

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)[NH2+]C1C2=C(C=CC(=C2)Br)NC1=O

Isomeric SMILES

CCC(C)(C)[NH2+][C@H]1C2=C(C=CC(=C2)Br)NC1=O

InChI

InChI=1S/C13H17BrN2O/c1-4-13(2,3)16-11-9-7-8(14)5-6-10(9)15-12(11)17/h5-7,11,16H,4H2,1-3H3,(H,15,17)/p+1/t11-/m0/s1