[(2S)-1-oxidanyl-1-oxidanylidene-3-pyridin-1-ium-3-yl-propan-2-yl]azanium dichloride

Systemtic Name: [(2S)-1-oxidanyl-1-oxidanylidene-3-pyridin-1-ium-3-yl-propan-2-yl]azanium dichloride Openeye Name: [(1S)-2-hydroxy-2-oxo-1-(pyridin-1-ium-3-ylmethyl)ethyl]ammonium dichloride CAS Name: [(2S)-1-hydroxy-1-oxo-3-(3-pyridin-1-iumyl)propan-2-yl]ammonium dichloride IUPAC Name: [(2S)-1-hydroxy-1-oxo-3-pyridin-1-ium-3-ylpropan-2-yl]azanium dichloride Traditional Name: [(1S)-2-hydroxy-2-keto-1-(pyridin-1-ium-3-ylmethyl)ethyl]ammonium dichloride Formula: C8H12Cl2N2O2 MolecularWeight: 239.09908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[NH+]=C1)CC(C(=O)O)[NH3+].[Cl-].[Cl-]

Isomeric SMILES

C1=CC(=C[NH+]=C1)C[C@@H](C(=O)O)[NH3+].[Cl-].[Cl-]

InChI

InChI=1S/C8H10N2O2.2ClH/c9-7(8(11)12)4-6-2-1-3-10-5-6;;/h1-3,5,7H,4,9H2,(H,11,12);2*1H/t7-;;/m0../s1