Chem
J-GLOBAL ID：200907016334430964   Nikkaji number：J435.003K

(S)-α-(Hydroxymethyl)benzeneacetic acid [8-(1-methylethyl)tropan-8-ium]-3α-yl ester

(S)-α-(ヒドロキシメチル)ベンゼン酢酸[8-(1-メチルエチル)トロパン-8-イウム]-3α-イル
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： C20H30[N+]O3
Molecular formula furigana： C20-H30-N-O3
Molecular weight： 332.463
InChI： InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1/t16?,17?,18?,19-,21?/m1/s1
InChI key： OEXHQOGQTVQTAT-VJJCQHNBSA-N
SMILES： CC(C)[N+]1(C)C2CCC1CC(C2)OC(=O)[C@H](CO)c1ccccc1
Systematic name  (3)：
  • (S)-α-(ヒドロキシメチル)ベンゼン酢酸[8-(1-メチルエチル)トロパン-8-イウム]-3α-イル
  • 3-{[(2S)-3-ヒドロキシ-2-フェニルプロパノイル]オキシ}-8-メチル-8-(プロパン-2-イル)-8-アザビシクロ[3.2.1]オクタン-8-イウム
  • 3-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-8-methyl-8-(propan-2-yl)-8-azabicyclo[3.2.1]octan-8-ium
Other name (1)：
  • (S)-α-(Hydroxymethyl)benzeneacetic acid [8-(1-methylethyl)tropan-8-ium]-3α-yl ester
Thsaurus map：
Thesaurus Map

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