Chem
J-GLOBAL ID：200907098406412032
Nikkaji number：J221.501B
(1R,5S)-3α-[(R)-3-Hydroxy-1-oxo-2-phenylpropoxy]-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane
(R)-α-(ヒドロキシメチル)ベンゼン酢酸(1R,5S)-8,8-ジメチル-8-アゾニアビシクロ[3.2.1]オクタン-3α-イル
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
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
Molecular formula： C18H26[N+]O3
Molecular formula furigana： C18-H26-N-O3
Molecular weight： 304.409
InChI：
InChI=1S/C18H26NO3/c1-19(2)14-8-9-15(19)11-16(10-14)22-18(21)17(12-20)13-6-4-3-5-7-13/h3-7,14-17,20H,8-12H2,1-2H3/q+1/t14-,15+,16+,17-/m0/s1
InChI key：
PIPAJLPNWZMYQA-HZMVEIRTSA-N
SMILES：
C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)[C@@H](CO)c1ccccc1
Systematic name (5)：
- (R)-α-(ヒドロキシメチル)ベンゼン酢酸(1R,5S)-8,8-ジメチル-8-アゾニアビシクロ[3.2.1]オクタン-3α-イル
- (1R,5S)-3α-[(R)-3-ヒドロキシ-1-オキソ-2-フェニルプロポキシ]-8,8-ジメチル-8-アゾニアビシクロ[3.2.1]オクタン
- (1β,3α,5β)-3-[[(R)-3-ヒドロキシ-1-オキソ-2-フェニルプロピル]オキシ]-8,8-ジメチル-8-アゾニアビシクロ[3.2.1]オクタン
- (1R,3R,5S)-3-{[(2R)-3-ヒドロキシ-2-フェニルプロパノイル]オキシ}-8,8-ジメチル-8-アザビシクロ[3.2.1]オクタン-8-イウム
- (1R,3R,5S)-3-{[(2R)-3-hydroxy-2-phenylpropanoyl]oxy}-8,8-dimethyl-8-azabicyclo[3.2.1]octan-8-ium
- (1β,3α,5β)-3-[[(R)-3-Hydroxy-1-oxo-2-phenylpropyl]oxy]-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane
- (1R,5S)-3α-[(R)-3-Hydroxy-1-oxo-2-phenylpropoxy]-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane
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