Chem
J-GLOBAL ID:200907003524926252
Nikkaji number:J2.559.644G
3,3′-Trimethylenebis[1-(2-methyl-2-hydroxypropyl)-1H-imidazole-3-ium]
3,3′-トリメチレンビス[1-(2-メチル-2-ヒドロキシプロピル)-1H-イミダゾール-3-イウム]
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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:
C17 H30 N2 [N+]2 O2
Molecular formula furigana:
C17-H30-N4-O2
Molecular weight:
322.452
InChI:
InChI=1S/C17H30N4O2/c1-16(2,22)12-20-10-8-18(14-20)6-5-7-19-9-11-21(15-19)13-17(3,4)23/h8-11,14-15,22-23H,5-7,12-13H2,1-4H3/q+2
InChI key:
XJVQUKSSGNBBFW-UHFFFAOYSA-N
SMILES:
CC(C)(O)Cn1cc[n+](CCC[n+]2ccn(CC(C)(C)O)c2)c1
Systematic name (3):
3,3′-トリメチレンビス[1-(2-メチル-2-ヒドロキシプロピル)-1H-イミダゾール-3-イウム]
1-(2-ヒドロキシ-2-メチルプロピル)-3-{3-[1-(2-ヒドロキシ-2-メチルプロピル)-1H-イミダゾール-3-イウム-3-イル]プロピル}-1H-イミダゾール-3-イウム
1-(2-hydroxy-2-methylpropyl)-3-{3-[1-(2-hydroxy-2-methylpropyl)-1H-imidazol-3-ium-3-yl]propyl}-1H-imidazol-3-ium
Other name (1):
3,3′-Trimethylenebis[1-(2-methyl-2-hydroxypropyl)-1H-imidazole-3-ium]
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