56641102 -OEChem-05072407582D 72 72 0 1 0 0 0 0 0999 V2000 10.0021 6.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 7.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 8.4300 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.0010 6.9300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 4.1200 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.1360 4.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7700 4.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7700 3.2540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 5.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 2.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 2.9300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 3.9300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 7.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 1.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 2.9300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 5.9300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 4.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 4.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 6.9300 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1350 5.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 7.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 7.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 7.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 8.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 7.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3481 4.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7466 4.7277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1920 4.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7934 3.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3070 5.2960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4600 5.5230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2331 4.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2331 2.9440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0800 2.7170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3070 3.5640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9240 6.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5255 5.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8070 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8070 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4810 2.3474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8796 3.0377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7830 1.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0230 1.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 3.4669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 2.3931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 5.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 5.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7130 7.9669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 7.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0930 6.8931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4881 8.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 9.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2481 8.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 6.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2711 7.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 20 1 0 0 0 0 2 20 2 0 0 0 0 3 31 1 0 0 0 0 4 31 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 6 34 1 0 0 0 0 6 35 1 0 0 0 0 7 11 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 9 43 1 0 0 0 0 10 44 1 0 0 0 0 10 45 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 12 46 1 0 0 0 0 13 15 2 0 0 0 0 13 47 1 0 0 0 0 14 18 2 0 0 0 0 14 48 1 0 0 0 0 15 18 1 0 0 0 0 15 49 1 0 0 0 0 16 17 1 0 0 0 0 16 21 1 0 0 0 0 16 22 1 0 0 0 0 16 50 1 0 0 0 0 17 19 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 53 1 0 0 0 0 19 24 2 0 0 0 0 19 25 1 0 0 0 0 20 29 1 0 0 0 0 21 54 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 22 57 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 23 26 1 0 0 0 0 23 27 2 0 0 0 0 23 28 1 0 0 0 0 24 27 1 0 0 0 0 24 60 1 0 0 0 0 25 28 2 0 0 0 0 25 61 1 0 0 0 0 26 30 1 0 0 0 0 26 31 1 0 0 0 0 26 62 1 0 0 0 0 27 63 1 0 0 0 0 28 64 1 0 0 0 0 29 32 1 0 0 0 0 29 33 2 0 0 0 0 30 65 1 0 0 0 0 30 66 1 0 0 0 0 30 67 1 0 0 0 0 32 68 1 0 0 0 0 32 69 1 0 0 0 0 32 70 1 0 0 0 0 33 71 1 0 0 0 0 33 72 1 0 0 0 0 M CHG 2 3 -1 5 1 M END > 56641102 > 1 > 488 > 4 > 0 > 10 > AAADcfB6OAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHgAAAAAADQDhmAYyCIMABACIAiDSCACCAAAgAAAIiAEIBMgKJDKAtRGHIAhkwAGYqIeYyOCOwAAAAAAAAACAAAAAAAAAAAAAAAAAAA== > benzyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]ammonium;2-(4-isobutylphenyl)propanoate > dimethyl-[2-(2-methyl-1-oxoprop-2-enoxy)ethyl]-(phenylmethyl)ammonium;2-[4-(2-methylpropyl)phenyl]propanoate > benzyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;2-[4-(2-methylpropyl)phenyl]propanoate > benzyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;2-[4-(2-methylpropyl)phenyl]propanoate > dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-(phenylmethyl)azanium;2-[4-(2-methylpropyl)phenyl]propanoate > benzyl-(2-methacryloyloxyethyl)-dimethyl-ammonium;2-(4-isobutylphenyl)propionate > InChI=1S/C15H22NO2.C13H18O2/c1-13(2)15(17)18-11-10-16(3,4)12-14-8-6-5-7-9-14;1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h5-9H,1,10-12H2,2-4H3;4-7,9-10H,8H2,1-3H3,(H,14,15)/q+1;/p-1 > MMMOGVRPXCGNRR-UHFFFAOYSA-M > 453.28790873 > C28H39NO4 > 453.6 > CC(C)CC1=CC=C(C=C1)C(C)C(=O)[O-].CC(=C)C(=O)OCC[N+](C)(C)CC1=CC=CC=C1 > CC(C)CC1=CC=C(C=C1)C(C)C(=O)[O-].CC(=C)C(=O)OCC[N+](C)(C)CC1=CC=CC=C1 > 66.4 > 453.28790873 > 0 > 33 > 0 > 1 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 11 12 8 11 13 8 12 14 8 13 15 8 14 18 8 15 18 8 19 24 8 19 25 8 23 27 8 23 28 8 24 27 8 25 28 8 26 30 3 $$$$