2,4,5-trideuterio-1,3-dimethyl-imidazol-1-ium

Systemtic Name: 2,4,5-trideuterio-1,3-dimethyl-imidazol-1-ium Openeye Name: 2,4,5-trideuterio-1,3-dimethyl-imidazol-1-ium CAS Name: 2,4,5-trideuterio-1,3-dimethylimidazol-1-ium IUPAC Name: 2,4,5-trideuterio-1,3-dimethylimidazol-1-ium Traditional Name: 2,4,5-trideuterio-1,3-dimethyl-imidazol-1-ium Formula: C5H9N2+ MolecularWeight: 100.156845

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C[N+](=C1)C

Isomeric SMILES

[2H]C1=C([N+](=C(N1C)[2H])C)[2H]

InChI

InChI=1S/C5H9N2/c1-6-3-4-7(2)5-6/h3-5H,1-2H3/q+1/i3D,4D,5D