Chem
J-GLOBAL ID:200907016884458670   Nikkaji number:J1.903.070I

(S)-1-Methoxy-1-oxo-N-[1-phenyl-1,2-benziodoxole-3(1H)-ylidene]propane-2-aminium

(S)-1-メトキシ-1-オキソ-N-[1-フェニル-1,2-ベンゾヨードキソール-3(1H)-イリデン]プロパン-2-アミニウム
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: C17H17I[N+]O3
Molecular formula furigana: C17-H17-I-N-O3
Molecular weight: 410.231
InChI: InChI=1S/C17H16INO3/c1-12(17(20)21-2)19-16-14-10-6-7-11-15(14)18(22-16)13-8-4-3-5-9-13/h3-12H,1-2H3/p+1/t12-/m0/s1
InChI key: POPKHWAPVDYFCB-LBPRGKRZSA-O
SMILES: COC(=O)[C@H](C)[NH+]=C1O[I](c2ccccc12)c1ccccc1
Systematic name  (3):
  • (S)-1-メトキシ-1-オキソ-N-[1-フェニル-1,2-ベンゾヨードキソール-3(1H)-イリデン]プロパン-2-アミニウム
  • (2S)-1-メトキシ-1-オキソ-N-(1-フェニル-3H-1λ3,2-ベンゾヨーダオキソール-3-イリデン)プロパン-2-アミニウム
  • (2S)-1-methoxy-1-oxo-N-(1-phenyl-3H-1λ3,2-benziodaoxol-3-ylidene)propan-2-aminium
Other name (1):
  • (S)-1-Methoxy-1-oxo-N-[1-phenyl-1,2-benziodoxole-3(1H)-ylidene]propane-2-aminium
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