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

Systemtic Name: [(2S)-3-(1H-imidazol-3-ium-5-yl)-1-methoxy-1-oxidanylidene-propan-2-yl]azanium dichloride Openeye Name: [(1S)-1-(1H-imidazol-3-ium-5-ylmethyl)-2-methoxy-2-oxo-ethyl]ammonium dichloride CAS Name: [(2S)-3-(1H-imidazol-3-ium-5-yl)-1-methoxy-1-oxopropan-2-yl]ammonium dichloride IUPAC Name: [(2S)-3-(1H-imidazol-3-ium-5-yl)-1-methoxy-1-oxopropan-2-yl]azanium dichloride Traditional Name: [(1S)-1-(1H-imidazol-3-ium-5-ylmethyl)-2-keto-2-methoxy-ethyl]ammonium dichloride Formula: C7H13Cl2N3O2 MolecularWeight: 242.10302

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=C[NH+]=CN1)[NH3+].[Cl-].[Cl-]

Isomeric SMILES

COC(=O)[C@H](CC1=C[NH+]=CN1)[NH3+].[Cl-].[Cl-]

InChI

InChI=1S/C7H11N3O2.2ClH/c1-12-7(11)6(8)2-5-3-9-4-10-5;;/h3-4,6H,2,8H2,1H3,(H,9,10);2*1H/t6-;;/m0../s1