Chem
J-GLOBAL ID:200907047042331429
Nikkaji number:J2.412.874A
(3R,8R,9S)-6′-Methoxy-1-azoniacinchonan-9-ol
(3R,8R,9S)-6′-メトキシ-1-アゾニアシンコナン-9-オール
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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:
C20 H25 N[N+]O2
Molecular formula furigana:
C20-H25-N2-O2
Molecular weight:
325.431
InChI:
InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/p+1/t13-,14-,19+,20-/m0/s1
InChI key:
LOUPRKONTZGTKE-LHHVKLHASA-O
SMILES:
COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CC[NH+]3C[C@@H]4C=C)c2c1
Systematic name (3):
(3R,8R,9S)-6′-メトキシ-1-アゾニアシンコナン-9-オール
(2R,4S,5R)-5-エテニル-2-[(S)-ヒドロキシ(6-メトキシキノリン-4-イル)メチル]-1-アザビシクロ[2.2.2]オクタン-1-イウム
(2R,4S,5R)-5-ethenyl-2-[(S)-hydroxy(6-methoxyquinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-1-ium
Other name (1):
(3R,8R,9S)-6′-Methoxy-1-azoniacinchonan-9-ol
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