[(3S)-6-bromanyl-2-oxidanylidene-1,3-dihydroindol-3-yl]-pentan-3-yl-azanium

Systemtic Name: [(3S)-6-bromanyl-2-oxidanylidene-1,3-dihydroindol-3-yl]-pentan-3-yl-azanium Openeye Name: [(3S)-6-bromo-2-oxo-indolin-3-yl]-(1-ethylpropyl)ammonium CAS Name: [(3S)-6-bromo-2-oxo-1,3-dihydroindol-3-yl]-pentan-3-ylammonium IUPAC Name: [(3S)-6-bromo-2-oxo-1,3-dihydroindol-3-yl]-pentan-3-ylazanium Traditional Name: [(3S)-6-bromo-2-keto-indolin-3-yl]-(1-ethylpropyl)ammonium Formula: C13H18BrN2O+ MolecularWeight: 298.19882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17BrN2O/c1-3-9(4-2)15-12-10-6-5-8(14)7-11(10)16-13(12)17/h5-7,9,12,15H,3-4H2,1-2H3,(H,16,17)/p+1/t12-/m0/s1