basic_info |
|
| Product_Name: | DETALLIPTINIUM |
| CAS: | 81531-57-9 |
| EnglishSynonyms: | DETALLIPTINIUM |
| pro_mdlNumber: | MFCD01690637 |
| pro_acceptors: | 4 |
| pro_donors: | 2 |
| pro_smile: | CCN(CC)CC[n+]1ccc2c(c3c(c(c2c1)C)c4cc(ccc4[nH]3)O)C |
| InChi: | InChI=1S/C23H27N3O/c1-5-25(6-2)11-12-26-10-9-18-16(4)23-22(15(3)20(18)14-26)19-13-17(27)7-8-21(19)24-23/h7-10,13-14,27H,5-6,11-12H2,1-4H3/p+1 |
| InChiKey: | InChIKey=NGOHTJBYABHJKF-UHFFFAOYSA-O |
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