Chem
J-GLOBAL ID：200907098032121365   Nikkaji number：J973.302G

1-Phenyl-4-formyl-7,9-dimethoxy-2,3,4,5-tetrahydro-1,4-benzothiazepine-1-ium

1-フェニル-4-ホルミル-7,9-ジメトキシ-2,3,4,5-テトラヒドロ-1,4-ベンゾチアゼピン-1-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： C18H20NO3[S+]
Molecular formula furigana： C18-H20-N-O3-S
Molecular weight： 330.420
InChI： InChI=1S/C18H20NO3S/c1-21-15-10-14-12-19(13-20)8-9-23(16-6-4-3-5-7-16)18(14)17(11-15)22-2/h3-7,10-11,13H,8-9,12H2,1-2H3/q+1
InChI key： AYBNPNGOINOCDZ-UHFFFAOYSA-N
SMILES： COc1cc2CN(CC[S+](c3ccccc3)c2c(OC)c1)C=O
Systematic name  (3)：
  • 1-フェニル-4-ホルミル-7,9-ジメトキシ-2,3,4,5-テトラヒドロ-1,4-ベンゾチアゼピン-1-イウム
  • 4-ホルミル-7,9-ジメトキシ-1-フェニル-2,3,4,5-テトラヒドロ-1H-1λ4,4-ベンゾチアゼピン-1-イリウム
  • 4-formyl-7,9-dimethoxy-1-phenyl-2,3,4,5-tetrahydro-1H-1λ4,4-benzothiazepin-1-ylium
Other name (1)：
  • 1-Phenyl-4-formyl-7,9-dimethoxy-2,3,4,5-tetrahydro-1,4-benzothiazepine-1-ium
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