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

Systemtic Name: 3-[[(3S)-6-bromanyl-2-oxidanylidene-1,3-dihydroindol-3-yl]azaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[[(3S)-6-bromo-2-oxo-indolin-3-yl]ammonio]propyl-dimethyl-ammonium CAS Name: 3-[[(3S)-6-bromo-2-oxo-1,3-dihydroindol-3-yl]ammonio]propyl-dimethylammonium IUPAC Name: 3-[[(3S)-6-bromo-2-oxo-1,3-dihydroindol-3-yl]azaniumyl]propyl-dimethylazanium Traditional Name: 3-[[(3S)-6-bromo-2-keto-indolin-3-yl]ammonio]propyl-dimethyl-ammonium Formula: C13H20BrN3O+2 MolecularWeight: 314.2214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18BrN3O/c1-17(2)7-3-6-15-12-10-5-4-9(14)8-11(10)16-13(12)18/h4-5,8,12,15H,3,6-7H2,1-2H3,(H,16,18)/p+2/t12-/m0/s1