[(2S)-3-[1-(2-cyanoethyl)imidazol-4-yl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: [(2S)-3-[1-(2-cyanoethyl)imidazol-4-yl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [(1S)-1-[[1-(2-cyanoethyl)imidazol-4-yl]methyl]-2-hydroxy-2-oxo-ethyl]ammonium CAS Name: [(2S)-3-[1-(2-cyanoethyl)-4-imidazolyl]-1-hydroxy-1-oxopropan-2-yl]ammonium IUPAC Name: [(2S)-3-[1-(2-cyanoethyl)imidazol-4-yl]-1-hydroxy-1-oxopropan-2-yl]azanium Traditional Name: [(1S)-1-[[1-(2-cyanoethyl)imidazol-4-yl]methyl]-2-hydroxy-2-keto-ethyl]ammonium Formula: C9H13N4O2+ MolecularWeight: 209.22512

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(N=CN1CCC#N)CC(C(=O)O)[NH3+]

Isomeric SMILES

C1=C(N=CN1CCC#N)C[C@@H](C(=O)O)[NH3+]

InChI

InChI=1S/C9H12N4O2/c10-2-1-3-13-5-7(12-6-13)4-8(11)9(14)15/h5-6,8H,1,3-4,11H2,(H,14,15)/p+1/t8-/m0/s1