J 113863 ,353791-85-2 _ChemCD

J 113863

basic_info
Product_Name：	J 113863
CAS：	353791-85-2
EnglishSynonyms：	J 113863 ; 1,4-CIS-1-(1-CYCLOOCTEN-1-YLMETHYL)-4-[[(2,7-DICHLORO-9H-XANTHEN-9-YL)CARBONYL]AMINO]-1-ETHYLPIPERIDINIUM IODIDE
pro_mdlNumber：	MFCD09971097
pro_acceptors：	4
pro_donors：	1
pro_smile：	CC[N@@+]1(CC[C@H](CC1)NC(=O)C2c3cc(ccc3Oc4c2cc(cc4)Cl)Cl)C/C/5=C/CCCCCC5.[I-]
InChi：	InChI=1S/C30H36Cl2N2O2.HI/c1-2-34(20-21-8-6-4-3-5-7-9-21)16-14-24(15-17-34)33-30(35)29-25-18-22(31)10-12-27(25)36-28-13-11-23(32)19-26(28)29;/h8,10-13,18-19,24,29H,2-7,9,14-17,20H2,1H3;1H/b21-8+;/t24-,34+;
InChiKey：	InChIKey=FOAFBMYSXIGAOX-KEKKVSGZSA-N

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