basic_info |
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| Product_Name: | 2-(2-(2-CHLORO-3-(2-(1-METHYLQUINOLIDINE-2-YLIDENE)ETHYLIDENE)CYCLOHEX-1-ENYL)VINYL)-1-METHYLQUINOLINIUM 4-METHYLBENZENESULFONATE |
| CAS: | 287194-09-6 |
| EnglishSynonyms: | 2-(2-(2-CHLORO-3-(2-(1-METHYLQUINOLIDINE-2-YLIDENE)ETHYLIDENE)CYCLOHEX-1-ENYL)VINYL)-1-METHYLQUINOLINIUM 4-METHYLBENZENESULFONATE |
| pro_mdlNumber: | MFCD03093210 |
| pro_acceptors: | 2 |
| pro_donors: | 0 |
| pro_smile: | Cc1ccc(cc1)S(=O)(=O)[O-].C[n+]1c(ccc2c1cccc2)/C=C/C3=C(/C(=C/C=C/4\CCc5ccccc5N4C)/CCC3)Cl |
| InChi: | InChI=1S/C30H30ClN2.C7H8O3S/c1-32-26(18-14-22-8-3-5-12-28(22)32)20-16-24-10-7-11-25(30(24)31)17-21-27-19-15-23-9-4-6-13-29(23)33(27)2;1-6-2-4-7(5-3-6)11(8,9)10/h3-6,8-9,12-14,16-18,20-21H,7,10-11,15,19H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1 |
| InChiKey: | InChIKey=JFQCKSFLYYRFAB-UHFFFAOYSA-M |
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