Chem
J-GLOBAL ID：201207042733556455   Nikkaji number：J3.108.585C

5-[(S)-α-(Methoxycarbonyl)-2-chlorobenzyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-5-ium

5-[(S)-α-(メトキシカルボニル)-2-クロロベンジル]-4,5,6,7-テトラヒドロチエノ[3,2-c]ピリジン-5-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： C16H17Cl[N+]O2S
Molecular formula furigana： C16-H17-CL-N-O2-S
Molecular weight： 322.830
InChI： InChI=1S/C16H16ClNO2S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14/h2-5,7,9,15H,6,8,10H2,1H3/p+1/t15-/m0/s1
InChI key： GKTWGGQPFAXNFI-HNNXBMFYSA-O
SMILES： COC(=O)[C@@H]([NH+]1CCc2sccc2C1)c1ccccc1Cl
Systematic name  (3)：
  • 5-[(S)-α-(メトキシカルボニル)-2-クロロベンジル]-4,5,6,7-テトラヒドロチエノ[3,2-c]ピリジン-5-イウム
  • 5-[(1S)-1-(2-クロロフェニル)-2-メトキシ-2-オキソエチル]-4H,5H,6H,7H-チエノ[3,2-c]ピリジン-5-イウム
  • 5-[(1S)-1-(2-chlorophenyl)-2-methoxy-2-oxoethyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-ium
Other name (1)：
  • 5-[(S)-α-(Methoxycarbonyl)-2-chlorobenzyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-5-ium
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