Chem
J-GLOBAL ID:200907006699194474
Nikkaji number:J8.332A
Hexocyclium
ヘキソシクリウム
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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:
C20 H33 N[N+]O
Molecular formula furigana:
C20-H33-N2-O
Molecular weight:
317.496
InChI:
InChI=1S/C20H33N2O/c1-22(2)15-13-21(14-16-22)17-20(23,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3,5-6,9-10,19,23H,4,7-8,11-17H2,1-2H3/q+1
InChI key:
ZRYHPQCHHOKSMD-UHFFFAOYSA-N
SMILES:
C[N+]1(C)CCN(CC(O)(C2CCCCC2)c2ccccc2)CC1
Systematic name (5):
1,1-ジメチル-4-(2-フェニル-2-シクロヘキシル-2-ヒドロキシエチル)ピペラジン-1-イウム
4-(β-シクロヘキシル-β-ヒドロキシフェネチル)-1,1-ジメチルピペラジン-1-イウム
4-(2-シクロヘキシル-2-ヒドロキシ-2-フェニルエチル)-1,1-ジメチルピペラジニウム
4-(2-シクロヘキシル-2-ヒドロキシ-2-フェニルエチル)-1,1-ジメチルピペラジン-1-イウム
4-(2-cyclohexyl-2-hydroxy-2-phenylethyl)-1,1-dimethylpiperazin-1-ium
Other name (3):
ヘキソシクリウム
Hexocyclium
4-(2-Cyclohexyl-2-hydroxy-2-phenylethyl)-1,1-dimethylpiperazin-1-ium
CAS registry number:
6004-98-4
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