Chem
J-GLOBAL ID：200907036565715210   Nikkaji number：J1.830.401E

1-(Hexyloxycarbonylmethyl)-3-methyl-1H-imidazole-3-ium

1-(ヘキシルオキシカルボニルメチル)-3-メチル-1H-イミダゾール-3-イウム
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C12H21N[N+]O2
Molecular formula furigana： C12-H21-N2-O2
Molecular weight： 225.311
InChI： InChI=1S/C12H21N2O2/c1-3-4-5-6-9-16-12(15)10-14-8-7-13(2)11-14/h7-8,11H,3-6,9-10H2,1-2H3/q+1
InChI key： UBHXPFWNFMJLKO-UHFFFAOYSA-N
SMILES： CCCCCCOC(=O)Cn1cc[n+](C)c1
Systematic name  (4)：
  • 1-メチル-3-[2-(ヘキシルオキシ)-2-オキソエチル]-3H-イミダゾール-1-イウム
  • 1-(ヘキシルオキシカルボニルメチル)-3-メチル-1H-イミダゾール-3-イウム
  • 1-[2-(ヘキシルオキシ)-2-オキソエチル]-3-メチル-1H-イミダゾール-3-イウム
  • 1-[2-(hexyloxy)-2-oxoethyl]-3-methyl-1H-imidazol-3-ium
Other name (2)：
  • 1-Methyl-3-[2-(hexyloxy)-2-oxoethyl]-3H-imidazole-1-ium
  • 1-(Hexyloxycarbonylmethyl)-3-methyl-1H-imidazole-3-ium
Thsaurus map：
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