653601-27-5 Purity
≥98%
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Specification
The molecular formula is C16H31N3O3.
The synonyms are 1-Dodecyl-3-methyl-1H-imidazol-3-ium nitrate and DTXSID30823441.
The molecular weight is 313.44 g/mol.
The IUPAC name is 1-dodecyl-3-methylimidazol-3-ium nitrate.
The InChI is InChI=1S/C16H31N2.NO3/c1-3-4-5-6-7-8-9-10-11-12-13-18-15-14-17(2)16-18;2-1(3)4/h14-16H,3-13H2,1-2H3;/q+1;-1.
The InChIKey is HTVLPUUYTJEEEZ-UHFFFAOYSA-N.
The canonical SMILES is CCCCCCCCCCCCN1C=C[N+](=C1)C.[N+](=O)([O-])[O-].
The CAS number is 799246-93-8.
Yes, it is a canonicalized compound.