(2S)-3-(3-methylimidazol-3-ium-1-yl)propane-1,2-diol chloride

Systemtic Name: (2S)-3-(3-methylimidazol-3-ium-1-yl)propane-1,2-diol chloride Openeye Name: (2S)-3-(3-methylimidazol-3-ium-1-yl)propane-1,2-diol chloride CAS Name: (2S)-3-(3-methyl-1-imidazol-3-iumyl)propane-1,2-diol chloride IUPAC Name: (2S)-3-(3-methylimidazol-3-ium-1-yl)propane-1,2-diol chloride Traditional Name: (2S)-3-(3-methylimidazol-3-ium-1-yl)propane-1,2-diol chloride Formula: C7H13ClN2O2 MolecularWeight: 192.64332

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CC(CO)O.[Cl-]

Isomeric SMILES

C[N+]1=CN(C=C1)C[C@@H](CO)O.[Cl-]

InChI

InChI=1S/C7H13N2O2.ClH/c1-8-2-3-9(6-8)4-7(11)5-10;/h2-3,6-7,10-11H,4-5H2,1H3;1H/q+1;/p-1/t7-;/m0./s1