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W3O

概要
表記:1-[3-[~{tert}-butyl(dimethyl)silyl]oxypropyl]pyridine-3-carboxamide
組成式:C15 H27 N2 O2 Si
電荷:1
化学式量:295.473 Da
分子種別:non-polymer

化合物名

プログラムバージョン表記
ACDLabs12.011-(3-{[tert-butyl(dimethyl)silyl]oxy}propyl)-3-carbamoylpyridin-1-ium
OpenEye OEToolkits2.0.71-[3-[~{tert}-butyl(dimethyl)silyl]oxypropyl]pyridin-1-ium-3-carboxamide

化合物記述子(線形表記)

種別プログラムバージョン表記
SMILESACDLabs12.01O=C(N)c1ccc[n+](CCCO[Si](C)(C)C(C)(C)C)c1
InChIInChI1.06InChI=1S/C15H26N2O2Si/c1-15(2,3)20(4,5)19-11-7-10-17-9-6-8-13(12-17)14(16)18/h6,8-9,12H,7,10-11H2,1-5H3,(H-,16,18)/p+1
InChIKeyInChI1.06IGAWBMMYKICDLH-UHFFFAOYSA-O
SMILES_CANONICALCACTVS3.385CC(C)(C)[Si](C)(C)OCCC[n+]1cccc(c1)C(N)=O
SMILESCACTVS3.385CC(C)(C)[Si](C)(C)OCCC[n+]1cccc(c1)C(N)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7CC(C)(C)[Si](C)(C)OCCC[n+]1cccc(c1)C(=O)N
SMILESOpenEye OEToolkits2.0.7CC(C)(C)[Si](C)(C)OCCC[n+]1cccc(c1)C(=O)N

224201

件を2024-08-28に公開中

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