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

Systemtic Name: [3-(1H-imidazol-1-ium-4-yl)-1-methoxy-1-oxidanylidene-propan-2-yl]azanium dichloride Openeye Name: [1-(1H-imidazol-1-ium-4-ylmethyl)-2-methoxy-2-oxo-ethyl]ammonium dichloride CAS Name: [3-(1H-imidazol-1-ium-4-yl)-1-methoxy-1-oxopropan-2-yl]ammonium dichloride IUPAC Name: [3-(1H-imidazol-1-ium-4-yl)-1-methoxy-1-oxopropan-2-yl]azanium dichloride Traditional Name: [1-(1H-imidazol-1-ium-4-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[NH2+]C=N1)[NH3+].[Cl-].[Cl-]

Isomeric SMILES

COC(=O)C(CC1=C[NH2+]C=N1)[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