16192732 -OEChem-03282417592D 50 50 0 0 0 0 0 0 0999 V2000 10.5966 4.2870 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 5.1200 4.8671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1200 6.5991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1200 6.5991 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.2540 7.0991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9860 7.0991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2540 8.0991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9860 8.0991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1200 8.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6200 5.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6200 5.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6200 5.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1200 4.8671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 4.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 4.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1200 3.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1200 3.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 2.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1200 1.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 2.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1200 1.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6434 7.2068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0419 6.5165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1981 6.5165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5966 7.2068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0419 8.6817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6434 7.9914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5966 7.9914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1981 8.6817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5185 9.0741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7215 9.0741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5123 5.1225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2026 5.5210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0831 5.4231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9300 5.1962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1569 6.0431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2277 5.4776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5374 5.0791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5123 3.3905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2026 3.7890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7277 4.6116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0374 4.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8100 3.6720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2400 2.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4300 0.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0831 0.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3100 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1569 0.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 12 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 7 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 8 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 9 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 12 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 20 1 0 0 0 0 17 44 1 0 0 0 0 18 21 2 0 0 0 0 18 45 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 20 46 1 0 0 0 0 21 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 M CHG 2 1 -1 4 1 M END > 16192732 > 1 > 315 > 3 > 0 > 7 > AAADceB6MAAAAgAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABAAAAHgAAAAAADADhmAYyCIMABACIAiDSCAACAAAgAAAIiACIAIgKICKAkTCHIAAkgACYiAeQwOAOQAAAAAAAAACAAAAAAAAAAAAAAAAAAA== > 3-(p-tolyl)propyl 2-(1-methylpiperidin-1-ium-1-yl)acetate;iodide > 2-(1-methyl-1-piperidin-1-iumyl)acetic acid 3-(4-methylphenyl)propyl ester;iodide > 3-(4-methylphenyl)propyl 2-(1-methylpiperidin-1-ium-1-yl)acetate;iodide > 3-(4-methylphenyl)propyl 2-(1-methylpiperidin-1-ium-1-yl)acetate;iodide > 3-(4-methylphenyl)propyl 2-(1-methylpiperidin-1-ium-1-yl)ethanoate;iodide > 2-(1-methylpiperidin-1-ium-1-yl)acetic acid 3-(p-tolyl)propyl ester;iodide > InChI=1S/C18H28NO2.HI/c1-16-8-10-17(11-9-16)7-6-14-21-18(20)15-19(2)12-4-3-5-13-19;/h8-11H,3-7,12-15H2,1-2H3;1H/q+1;/p-1 > UIGAOGBWTXOVEK-UHFFFAOYSA-M > 417.11648 > C18H28INO2 > 417.3 > CC1=CC=C(C=C1)CCCOC(=O)C[N+]2(CCCCC2)C.[I-] > CC1=CC=C(C=C1)CCCOC(=O)C[N+]2(CCCCC2)C.[I-] > 26.3 > 417.11648 > 0 > 22 > 0 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 16 17 8 16 18 8 17 20 8 18 21 8 19 20 8 19 21 8 $$$$