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SMILES: [Br-].O.C(CO)(C(=O)OC1CC2CCC([N+]2(C(C)C)C)C1)c1ccccc1 Canonical SMILES: OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C(C)C.O.[Br-] InChI: InChI=1S/C20H30NO3.BrH.H2O/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15;;/h4-8,14,16-19,22H,9-13H2,1-3H3;1H;1H2/q+1;;/p-1 InChIKey: KEWHKYJURDBRMN-UHFFFAOYSA-M
CBID:171731 http://www.chembase.cn/molecule-171731.html