Chem
J-GLOBAL ID：201507015066533020   Nikkaji number：J3.380.424E

1-[(S)-2,2-Dimethyl-1-(hydroxymethyl)propyl]-3-mesityl-1H-imidazole-3-ium

1-[(S)-2,2-ジメチル-1-(ヒドロキシメチル)プロピル]-3-メシチル-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： C18H27N[N+]O
Molecular formula furigana： C18-H27-N2-O
Molecular weight： 287.426
InChI： InChI=1S/C18H27N2O/c1-13-9-14(2)17(15(3)10-13)20-8-7-19(12-20)16(11-21)18(4,5)6/h7-10,12,16,21H,11H2,1-6H3/q+1/t16-/m1/s1
InChI key： JDBJAOACNWTZLW-MRXNPFEDSA-N
SMILES： Cc1cc(C)c(c(C)c1)[n+]1ccn(c1)[C@H](CO)C(C)(C)C
Systematic name  (3)：
  • 1-[(S)-2,2-ジメチル-1-(ヒドロキシメチル)プロピル]-3-メシチル-1H-イミダゾール-3-イウム
  • 3-[(2S)-1-ヒドロキシ-3,3-ジメチルブタン-2-イル]-1-(2,4,6-トリメチルフェニル)-3H-1λ5-イミダゾール-1-イリウム
  • 3-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-1-(2,4,6-trimethylphenyl)-3H-1λ5-imidazol-1-ylium
Other name (1)：
  • 1-[(S)-2,2-Dimethyl-1-(hydroxymethyl)propyl]-3-mesityl-1H-imidazole-3-ium
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