Chem
J-GLOBAL ID：201507069304571028   Nikkaji number：J3.377.405B

[4-(2-(Propargyloxy)ethoxy)benzyl](4-(benzoyloxymethyl)benzyl)aminium

[4-(2-(プロパルギルオキシ)エトキシ)ベンジル](4-(ベンゾイルオキシメチル)ベンジル)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： C27H28[N+]O4
Molecular formula furigana： C27-H28-N-O4
Molecular weight： 430.523
InChI： InChI=1S/C27H27NO4/c1-2-16-30-17-18-31-26-14-12-23(13-15-26)20-28-19-22-8-10-24(11-9-22)21-32-27(29)25-6-4-3-5-7-25/h1,3-15,28H,16-21H2/p+1
InChI key： NGYQNRCVZGQYIF-UHFFFAOYSA-O
SMILES： O=C(OCc1ccc(C[NH2+]Cc2ccc(OCCOCC#C)cc2)cc1)c1ccccc1
Systematic name  (3)：
  • [4-(2-(プロパルギルオキシ)エトキシ)ベンジル](4-(ベンゾイルオキシメチル)ベンジル)アミニウム
  • ({4-[(ベンゾイルオキシ)メチル]フェニル}メチル)({4-[2-(プロパ-2-イン-1-イルオキシ)エトキシ]フェニル}メチル)アザニウム
  • ({4-[(benzoyloxy)methyl]phenyl}methyl)({4-[2-(prop-2-yn-1-yloxy)ethoxy]phenyl}methyl)azanium
Other name (1)：
  • [4-(2-(Propargyloxy)ethoxy)benzyl](4-(benzoyloxymethyl)benzyl)aminium
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