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

Systemtic Name: [(2S)-3-(2-cyclohexyl-1H-imidazol-3-ium-5-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [(1S)-1-[(2-cyclohexyl-1H-imidazol-3-ium-5-yl)methyl]-2-hydroxy-2-oxo-ethyl]ammonium CAS Name: [(2S)-3-(2-cyclohexyl-1H-imidazol-3-ium-5-yl)-1-hydroxy-1-oxopropan-2-yl]ammonium IUPAC Name: [(2S)-3-(2-cyclohexyl-1H-imidazol-3-ium-5-yl)-1-hydroxy-1-oxopropan-2-yl]azanium Traditional Name: [(1S)-1-[(2-cyclohexyl-1H-imidazol-3-ium-5-yl)methyl]-2-hydroxy-2-keto-ethyl]ammonium Formula: C12H21N3O2+2 MolecularWeight: 239.31404

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=[NH+]C=C(N2)CC(C(=O)O)[NH3+]

Isomeric SMILES

C1CCC(CC1)C2=[NH+]C=C(N2)C[C@@H](C(=O)O)[NH3+]

InChI

InChI=1S/C12H19N3O2/c13-10(12(16)17)6-9-7-14-11(15-9)8-4-2-1-3-5-8/h7-8,10H,1-6,13H2,(H,14,15)(H,16,17)/p+2/t10-/m0/s1