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

Systemtic Name: [(3S)-5-bromanyl-2-oxidanylidene-1,3-dihydroindol-3-yl]-[(2R)-1-oxidanylbutan-2-yl]azanium Openeye Name: [(3S)-5-bromo-2-oxo-indolin-3-yl]-[(1R)-1-(hydroxymethyl)propyl]ammonium CAS Name: [(3S)-5-bromo-2-oxo-1,3-dihydroindol-3-yl]-[(2R)-1-hydroxybutan-2-yl]ammonium IUPAC Name: [(3S)-5-bromo-2-oxo-1,3-dihydroindol-3-yl]-[(2R)-1-hydroxybutan-2-yl]azanium Traditional Name: [(3S)-5-bromo-2-keto-indolin-3-yl]-[(1R)-1-methylolpropyl]ammonium Formula: C12H16BrN2O2+ MolecularWeight: 300.17164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15BrN2O2/c1-2-8(6-16)14-11-9-5-7(13)3-4-10(9)15-12(11)17/h3-5,8,11,14,16H,2,6H2,1H3,(H,15,17)/p+1/t8-,11+/m1/s1