Chem
J-GLOBAL ID:200907039165357594
Nikkaji number:J2.160.820C
4β-(4-Chlorophenyl)-4-hydroxy-1α-[4-(4-fluorophenyl)-4-oxobutyl]piperidinium
4β-(4-クロロフェニル)-4-ヒドロキシ-1α-[4-(4-フルオロフェニル)-4-オキソブチル]ピペリジニウム
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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:
C21 H24 ClF[N+]O2
Molecular formula furigana:
C21-H24-CL-F-N-O2
Molecular weight:
376.880
InChI:
InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2/p+1
InChI key:
LNEPOXFFQSENCJ-UHFFFAOYSA-O
SMILES:
OC1(CC[NH+](CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Systematic name (3):
4β-(4-クロロフェニル)-4-ヒドロキシ-1α-[4-(4-フルオロフェニル)-4-オキソブチル]ピペリジニウム
4-(4-クロロフェニル)-1-[4-(4-フルオロフェニル)-4-オキソブチル]-4-ヒドロキシピペリジン-1-イウム
4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]-4-hydroxypiperidin-1-ium
Other name (1):
4β-(4-Chlorophenyl)-4-hydroxy-1α-[4-(4-fluorophenyl)-4-oxobutyl]piperidinium
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