3-[[(3S)-5-chloranyl-2-oxidanylidene-1,3-dihydroindol-3-yl]azaniumyl]propyl-dimethyl-azanium

Systemtic Name: 3-[[(3S)-5-chloranyl-2-oxidanylidene-1,3-dihydroindol-3-yl]azaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[[(3S)-5-chloro-2-oxo-indolin-3-yl]ammonio]propyl-dimethyl-ammonium CAS Name: 3-[[(3S)-5-chloro-2-oxo-1,3-dihydroindol-3-yl]ammonio]propyl-dimethylammonium IUPAC Name: 3-[[(3S)-5-chloro-2-oxo-1,3-dihydroindol-3-yl]azaniumyl]propyl-dimethylazanium Traditional Name: 3-[[(3S)-5-chloro-2-keto-indolin-3-yl]ammonio]propyl-dimethyl-ammonium Formula: C13H20ClN3O+2 MolecularWeight: 269.7704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18ClN3O/c1-17(2)7-3-6-15-12-10-8-9(14)4-5-11(10)16-13(12)18/h4-5,8,12,15H,3,6-7H2,1-2H3,(H,16,18)/p+2/t12-/m0/s1