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SMILES: [N+]12([C@H]([C@@H](COC(=O)Cc3cc(c(cc3)OC)Br)CCC1)CCCC2)C.[I-] Canonical SMILES: COc1ccc(cc1Br)CC(=O)OC[C@H]1CCC[N+]2([C@H]1CCCC2)C.[I-] InChI: InChI=1S/C20H29BrNO3.HI/c1-22-10-4-3-7-18(22)16(6-5-11-22)14-25-20(23)13-15-8-9-19(24-2)17(21)12-15;/h8-9,12,16,18H,3-7,10-11,13-14H2,1-2H3;1H/q+1;/p-1/t16-,18+,22?;/m1./s1 InChIKey: PUYXODDYSBQVTB-CEUBQAFJSA-M
CBID:188045 http://www.chembase.cn/molecule-188045.html