11519741 -OEChem-05052407462D 64 67 0 1 0 0 0 0 0999 V2000 7.9298 7.2014 0.0000 Br 0 5 0 0 0 0 0 0 0 0 0 0 2.7901 13.5393 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8363 12.9886 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6088 10.1232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3584 3.4966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9358 10.5715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1265 11.5374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4618 6.8427 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7206 7.8086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4840 8.6573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0891 6.2507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8607 6.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3500 9.1573 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7471 7.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1196 7.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2030 5.8768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9101 5.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6513 4.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9017 10.8303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1606 11.7962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4194 12.7622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1946 12.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0996 2.5307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3530 13.1205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4175 11.4257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8067 1.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1336 2.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3006 14.1192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5788 11.9704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3347 14.3780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8376 12.9363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5478 0.8577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8748 1.3060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5819 0.5989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7066 7.1888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1793 9.1972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9411 8.3578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5107 6.0274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3236 5.6767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6658 5.7453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4547 6.1561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9700 9.1593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5528 7.7792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1613 6.9872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7135 7.1220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3145 7.8884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6411 6.1388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8474 5.3689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4720 4.9077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2657 5.6776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0894 4.4658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2956 3.6959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5649 11.9758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8729 12.7829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4499 10.8066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4055 1.9841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6952 2.7103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7825 14.5093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 11.7482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1125 14.9568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4475 13.4181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9862 0.4193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2759 1.1455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4214 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 21 1 0 0 0 0 2 30 1 0 0 0 0 3 22 1 0 0 0 0 3 31 1 0 0 0 0 13 4 1 6 0 0 0 4 19 1 0 0 0 0 5 18 1 0 0 0 0 5 23 1 0 0 0 0 6 19 2 0 0 0 0 7 20 1 0 0 0 0 7 53 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 8 16 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 9 35 1 0 0 0 0 10 13 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 14 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 15 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 42 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 17 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 18 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 24 2 0 0 0 0 22 25 2 0 0 0 0 23 26 2 0 0 0 0 23 27 1 0 0 0 0 24 28 1 0 0 0 0 24 54 1 0 0 0 0 25 29 1 0 0 0 0 25 55 1 0 0 0 0 26 32 1 0 0 0 0 26 56 1 0 0 0 0 27 33 2 0 0 0 0 27 57 1 0 0 0 0 28 30 2 0 0 0 0 28 58 1 0 0 0 0 29 31 2 0 0 0 0 29 59 1 0 0 0 0 30 60 1 0 0 0 0 31 61 1 0 0 0 0 32 34 2 0 0 0 0 32 62 1 0 0 0 0 33 34 1 0 0 0 0 33 63 1 0 0 0 0 34 64 1 0 0 0 0 M CHG 2 1 -1 8 1 M END > 11519741 > 1 > 647 > 7 > 1 > 10 > AAADceB6OABgEAAAAAAAAAAAAAAAASJAAAA8WLEAAAAAAAAB8AAAHgQACAAADVTl0AawD4MABgiMACDSCAIDCIAgKBBIiBlOCIgPJjKktRqHeCCmwBG7uAe4yIAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [(3R)-1-(3-phenoxypropyl)quinuclidin-1-ium-3-yl] 2-hydroxy-2,2-bis(2-thienyl)acetate;bromide > 2-hydroxy-2,2-dithiophen-2-ylacetic acid [(3R)-1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] ester;bromide > [(3R)-1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate;bromide > [(3R)-1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate;bromide > [(3R)-1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-oxidanyl-2,2-dithiophen-2-yl-ethanoate;bromide > 2-hydroxy-2,2-bis(2-thienyl)acetic acid [(3R)-1-(3-phenoxypropyl)quinuclidin-1-ium-3-yl] ester;bromide > InChI=1S/C26H30NO4S2.BrH/c28-25(26(29,23-9-4-17-32-23)24-10-5-18-33-24)31-22-19-27(14-11-20(22)12-15-27)13-6-16-30-21-7-2-1-3-8-21;/h1-5,7-10,17-18,20,22,29H,6,11-16,19H2;1H/q+1;/p-1/t20?,22-,27?;/m0./s1 > XLAKJQPTOJHYDR-QTQXQZBYSA-M > 563.07996 > C26H30BrNO4S2 > 564.6 > C1C[N+]2(CCC1C(C2)OC(=O)C(C3=CC=CS3)(C4=CC=CS4)O)CCCOC5=CC=CC=C5.[Br-] > C1C[N+]2(CCC1[C@H](C2)OC(=O)C(C3=CC=CS3)(C4=CC=CS4)O)CCCOC5=CC=CC=C5.[Br-] > 112 > 563.07996 > 0 > 34 > 1 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 2 21 8 2 30 8 21 24 8 22 25 8 23 26 8 23 27 8 24 28 8 25 29 8 26 32 8 27 33 8 28 30 8 29 31 8 3 22 8 3 31 8 32 34 8 33 34 8 13 4 6 $$$$