[(2S)-1-(1H-imidazol-1-ium-4-yl)-3-phenylmethoxy-propan-2-yl]azanium dichloride

Systemtic Name: [(2S)-1-(1H-imidazol-1-ium-4-yl)-3-phenylmethoxy-propan-2-yl]azanium dichloride Openeye Name: [(1S)-1-(benzyloxymethyl)-2-(1H-imidazol-1-ium-4-yl)ethyl]ammonium dichloride CAS Name: [(2S)-1-(1H-imidazol-1-ium-4-yl)-3-phenylmethoxypropan-2-yl]ammonium dichloride IUPAC Name: [(2S)-1-(1H-imidazol-1-ium-4-yl)-3-phenylmethoxypropan-2-yl]azanium dichloride Traditional Name: [(1S)-1-(benzoxymethyl)-2-(1H-imidazol-1-ium-4-yl)ethyl]ammonium dichloride Formula: C13H19Cl2N3O MolecularWeight: 304.21546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC(CC2=C[NH2+]C=N2)[NH3+].[Cl-].[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)COC[C@H](CC2=C[NH2+]C=N2)[NH3+].[Cl-].[Cl-]

InChI

InChI=1S/C13H17N3O.2ClH/c14-12(6-13-7-15-10-16-13)9-17-8-11-4-2-1-3-5-11;;/h1-5,7,10,12H,6,8-9,14H2,(H,15,16);2*1H/t12-;;/m0../s1