Chem
J-GLOBAL ID:200907075258152972   Nikkaji number:J400.384E

(1α,2β,4β,5α)-9-Ethyl-7β-[(R)-3-hydroxy-1-oxo-2-phenylpropoxy]-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonane

(1α,2β,4β,5α)-9-エチル-7β-[(R)-3-ヒドロキシ-1-オキソ-2-フェニルプロポキシ]-9-メチル-3-オキサ-9-アゾニアトリシクロ[3.3.1.02,4]ノナン
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: C19H26[N+]O4
Molecular formula furigana: C19-H26-N-O4
Molecular weight: 332.419
InChI: InChI=1S/C19H26NO4/c1-3-20(2)15-9-13(10-16(20)18-17(15)24-18)23-19(22)14(11-21)12-7-5-4-6-8-12/h4-8,13-18,21H,3,9-11H2,1-2H3/q+1/t13?,14-,15-,16+,17-,18+,20?/m0/s1
InChI key: NVOYVOBDTVTBDX-CDJGUDJMSA-N
SMILES: CC[N+]1(C)[C@H]2CC(C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@@H](CO)c1ccccc1
Systematic name  (3):
  • (1α,2β,4β,5α)-9-エチル-7β-[(R)-3-ヒドロキシ-1-オキソ-2-フェニルプロポキシ]-9-メチル-3-オキサ-9-アゾニアトリシクロ[3.3.1.02,4]ノナン
  • (1R,2R,4S,5S)-9-エチル-7-{[(2R)-3-ヒドロキシ-2-フェニルプロパノイル]オキシ}-9-メチル-3-オキサ-9-アザトリシクロ[3.3.1.02,4]ノナン-9-イウム
  • (1R,2R,4S,5S)-9-ethyl-7-{[(2R)-3-hydroxy-2-phenylpropanoyl]oxy}-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-9-ium
Other name (1):
  • (1α,2β,4β,5α)-9-Ethyl-7β-[(R)-3-hydroxy-1-oxo-2-phenylpropoxy]-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonane
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