[(2S)-3-(1H-imidazol-3-ium-5-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: [(2S)-3-(1H-imidazol-3-ium-5-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [(1S)-2-hydroxy-1-(1H-imidazol-3-ium-5-ylmethyl)-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-hydroxy-3-(1H-imidazol-3-ium-5-yl)-1-oxopropan-2-yl]ammonium IUPAC Name: [(2S)-1-hydroxy-3-(1H-imidazol-3-ium-5-yl)-1-oxopropan-2-yl]azanium Traditional Name: [(1S)-2-hydroxy-1-(1H-imidazol-3-ium-5-ylmethyl)-2-keto-ethyl]ammonium Formula: C6H11N3O2+2 MolecularWeight: 157.17044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC=[NH+]1)CC(C(=O)O)[NH3+]

Isomeric SMILES

C1=C(NC=[NH+]1)C[C@@H](C(=O)O)[NH3+]

InChI

InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/p+2/t5-/m0/s1