Chem
J-GLOBAL ID:200907081254753475
Nikkaji number:J649.755A
1-[2-[(3R)-3-(3,4-ジクロロフェニル)-1-(3-イソプロポキシフェニルアセチル)-3-ピペリジニル]エチル]-4-フェニル-1-アゾニアビシクロ[2.2.2]オクタン
1-[2-[(3R)-3-(3,4-ジクロロフェニル)-1-(3-イソプロポキシフェニルアセチル)-3-ピペリジニル]エチル]-4-フェニル-1-アゾニアビシクロ[2.2.2]オクタン
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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:
C37 H45 Cl2 N[N+]O2
Molecular formula furigana:
C37-H45-CL2-N2-O2
Molecular weight:
620.680
InChI:
InChI=1S/C37H45Cl2N2O2/c1-28(2)43-32-11-6-8-29(24-32)25-35(42)40-19-7-14-37(27-40,31-12-13-33(38)34(39)26-31)18-23-41-20-15-36(16-21-41,17-22-41)30-9-4-3-5-10-30/h3-6,8-13,24,26,28H,7,14-23,25,27H2,1-2H3/q+1/t36?,37-,41?/m0/s1
InChI key:
RPDFDSQFBCJTDY-PXODCTBUSA-N
SMILES:
CC(C)Oc1cccc(CC(=O)N2CCC[C@](CC[N+]34CCC(CC3)(CC4)c3ccccc3)(C2)c2ccc(Cl)c(Cl)c2)c1
Systematic name (3):
1-[2-[(3R)-3-(3,4-ジクロロフェニル)-1-(3-イソプロポキシフェニルアセチル)-3-ピペリジニル]エチル]-4-フェニル-1-アゾニアビシクロ[2.2.2]オクタン
1-{2-[(3R)-3-(3,4-ジクロロフェニル)-1-{2-[3-(プロパン-2-イルオキシ)フェニル]アセチル}ピペリジン-3-イル]エチル}-4-フェニル-1-アザビシクロ[2.2.2]オクタン-1-イウム
1-{2-[(3R)-3-(3,4-dichlorophenyl)-1-{2-[3-(propan-2-yloxy)phenyl]acetyl}piperidin-3-yl]ethyl}-4-phenyl-1-azabicyclo[2.2.2]octan-1-ium
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