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

Systemtic Name: [(3S)-4-bromanyl-2-oxidanylidene-1,3-dihydroindol-3-yl]-[(2S)-pentan-2-yl]azanium Openeye Name: [(3S)-4-bromo-2-oxo-indolin-3-yl]-[(1S)-1-methylbutyl]ammonium CAS Name: [(3S)-4-bromo-2-oxo-1,3-dihydroindol-3-yl]-[(2S)-pentan-2-yl]ammonium IUPAC Name: [(3S)-4-bromo-2-oxo-1,3-dihydroindol-3-yl]-[(2S)-pentan-2-yl]azanium Traditional Name: [(3S)-4-bromo-2-keto-indolin-3-yl]-[(1S)-1-methylbutyl]ammonium Formula: C13H18BrN2O+ MolecularWeight: 298.19882

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)[NH2+]C1C2=C(C=CC=C2Br)NC1=O

Isomeric SMILES

CCC[C@H](C)[NH2+][C@H]1C2=C(C=CC=C2Br)NC1=O

InChI

InChI=1S/C13H17BrN2O/c1-3-5-8(2)15-12-11-9(14)6-4-7-10(11)16-13(12)17/h4,6-8,12,15H,3,5H2,1-2H3,(H,16,17)/p+1/t8-,12-/m0/s1