醋酸去甲铵 dequalinium acetate
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iupac名称 IUPAC Name :1- [10-（4-氨基-2-甲基喹啉-1-鎓-1-基）癸基] -2-甲基喹啉-1-鎓-4-胺;二乙酸酯 1-[10-(4-amino-2-methylquinolin-1-ium-1-yl)decyl]-2-methylquinolin-1-ium-4-amine;diacetate
INCHI InChI :INCHI InChI=1/C30H38N4.2C2H4O2/c1-23-21-27(31)25-15-9-11-17-29(25)33(23)19-13-7-5-3-4-6-8-14-20-34-24(2)22-28(32)26-16-10-12-18-30(26)34;2*1-2(3)4/h9-12,15-18,21-22,31-32H,3-8,13-14,19-20H2,1-2H3;2*1H3,(H,3,4)
印地 Std.InChI: INCHI InChI=1S/C30H38N4.2C2H4O2/c1-23-21-27(31)25-15-9-11-17-29(25)33(23)19-13-7-5-3-4-6-8-14-20-34-24(2)22-28(32)26-16-10-12-18-30(26)34;2*1-2(3)4/h9-12,15-18,21-22,31-32H,3-8,13-14,19-20H2,1-2H3;2*1H3,(H,3,4)
INCHI基 InChIKey :IWYNVAJACBPVLT-UHFFFAOYAJ
标准奇奇 Std.InChIKey: IWYNVAJACBPVLT-UHFFFAOYSA-N
微笑 SMILES :[o- O-]C(= o =O)C.[o- O-]C(= o =O)C.c12cc cccc ccc1c(cc cc([n+]2CCCCCCCCCC[n+]4c3cc cccc ccc3c(N)cc cc4C)C)N