basic_info |
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| Product_Name： | 8-(P-COTYLBENZYL)TROPINIUM BROMIDE BENZOATE |
| CAS： | 58128-72-6 |
| EnglishSynonyms： | 8-(P-COTYLBENZYL)TROPINIUM BROMIDE BENZOATE |
| pro_mdlNumber： | MFCD01677484 |
| pro_acceptors： | 3 |
| pro_donors： | 0 |
| pro_smile： | CCCCCCCCc1ccc(cc1)C[N+]2([C@@H]3CC[C@H]2CC(C3)OC(=O)c4ccccc4)C.[Br-] |
| InChi： | InChI=1S/C30H42NO2.BrH/c1-3-4-5-6-7-9-12-24-15-17-25(18-16-24)23-31(2)27-19-20-28(31)22-29(21-27)33-30(32)26-13-10-8-11-14-26;/h8,10-11,13-18,27-29H,3-7,9,12,19-23H2,1-2H3;1H/q+1;/p-1/t27-,28+,29?,31?; |
| InChiKey： | InChIKey=SJCMALRVQZBXLS-IWXIXTJGSA-M |
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