[(2S)-1-oxidanyl-1-oxidanylidene-4-(3-oxidanylidene-1,2-dihydropyrazol-4-yl)butan-2-yl]azanium chloride

Systemtic Name: [(2S)-1-oxidanyl-1-oxidanylidene-4-(3-oxidanylidene-1,2-dihydropyrazol-4-yl)butan-2-yl]azanium chloride Openeye Name: [(1S)-1-carboxy-3-(3-oxo-1,2-dihydropyrazol-4-yl)propyl]ammonium chloride CAS Name: [(2S)-1-hydroxy-1-oxo-4-(3-oxo-1,2-dihydropyrazol-4-yl)butan-2-yl]ammonium chloride IUPAC Name: [(2S)-1-hydroxy-1-oxo-4-(3-oxo-1,2-dihydropyrazol-4-yl)butan-2-yl]azanium chloride Traditional Name: [(1S)-1-carboxy-3-(3-keto-3-pyrazolin-4-yl)propyl]ammonium chloride Formula: C7H12ClN3O3 MolecularWeight: 221.64148

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=O)NN1)CCC(C(=O)O)[NH3+].[Cl-]

Isomeric SMILES

C1=C(C(=O)NN1)CC[C@@H](C(=O)O)[NH3+].[Cl-]

InChI

InChI=1S/C7H11N3O3.ClH/c8-5(7(12)13)2-1-4-3-9-10-6(4)11;/h3,5H,1-2,8H2,(H,12,13)(H2,9,10,11);1H/t5-;/m0./s1