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

Systemtic Name: [(2S)-1-oxidanyl-1-oxidanylidene-3-(2-propan-2-yl-1H-imidazol-3-ium-5-yl)propan-2-yl]azanium Openeye Name: [(1S)-2-hydroxy-1-[(2-isopropyl-1H-imidazol-3-ium-5-yl)methyl]-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-hydroxy-1-oxo-3-(2-propan-2-yl-1H-imidazol-3-ium-5-yl)propan-2-yl]ammonium IUPAC Name: [(2S)-1-hydroxy-1-oxo-3-(2-propan-2-yl-1H-imidazol-3-ium-5-yl)propan-2-yl]azanium Traditional Name: [(1S)-2-hydroxy-1-[(2-isopropyl-1H-imidazol-3-ium-5-yl)methyl]-2-keto-ethyl]ammonium Formula: C9H17N3O2+2 MolecularWeight: 199.25018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=[NH+]C=C(N1)CC(C(=O)O)[NH3+]

Isomeric SMILES

CC(C)C1=[NH+]C=C(N1)C[C@@H](C(=O)O)[NH3+]

InChI

InChI=1S/C9H15N3O2/c1-5(2)8-11-4-6(12-8)3-7(10)9(13)14/h4-5,7H,3,10H2,1-2H3,(H,11,12)(H,13,14)/p+2/t7-/m0/s1