[(2S)-1-methoxy-1-oxidanylidene-3-[1-(phenylmethyl)imidazol-4-yl]propan-2-yl]azanium chloride

Systemtic Name: [(2S)-1-methoxy-1-oxidanylidene-3-[1-(phenylmethyl)imidazol-4-yl]propan-2-yl]azanium chloride Openeye Name: [(1S)-1-[(1-benzylimidazol-4-yl)methyl]-2-methoxy-2-oxo-ethyl]ammonium chloride CAS Name: [(2S)-1-methoxy-1-oxo-3-[1-(phenylmethyl)-4-imidazolyl]propan-2-yl]ammonium chloride IUPAC Name: [(2S)-3-(1-benzylimidazol-4-yl)-1-methoxy-1-oxopropan-2-yl]azanium chloride Traditional Name: [(1S)-1-[(1-benzylimidazol-4-yl)methyl]-2-keto-2-methoxy-ethyl]ammonium chloride Formula: C14H18ClN3O2 MolecularWeight: 295.76462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CN(C=N1)CC2=CC=CC=C2)[NH3+].[Cl-]

Isomeric SMILES

COC(=O)[C@H](CC1=CN(C=N1)CC2=CC=CC=C2)[NH3+].[Cl-]

InChI

InChI=1S/C14H17N3O2.ClH/c1-19-14(18)13(15)7-12-9-17(10-16-12)8-11-5-3-2-4-6-11;/h2-6,9-10,13H,7-8,15H2,1H3;1H/t13-;/m0./s1