41010414 -OEChem-03282412292D 58 60 0 0 0 0 0 0 0999 V2000 5.6783 -1.6637 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -1.3590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2619 -2.5911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3211 1.6405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9674 1.1025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 -1.7250 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.7619 -1.7250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2619 -0.8590 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2619 -2.5911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2619 -0.8590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -2.5911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -0.8590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6279 -2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.3590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 0.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -0.3590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -1.3590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4939 -1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -1.8590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6783 -0.0543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -0.8590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 0.5070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3600 -2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9889 0.8962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4939 -0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6318 2.5911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2988 -1.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1542 -3.2016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8445 -2.8031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8445 -0.6470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1542 -0.2484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6793 -2.8031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3695 -3.2016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3695 -0.2484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6793 -0.6470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2294 -2.7000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0264 -2.7000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2646 0.6159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4675 0.6159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4675 -2.3340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2646 -2.3340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -0.3590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0369 0.8170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 1.0440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9631 0.1970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5719 -0.3221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0500 -2.7620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8969 -2.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6700 -1.6881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0309 -0.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9570 -0.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2211 2.3984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8244 3.1804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0424 2.7837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 22 1 0 0 0 0 2 14 1 0 0 0 0 2 20 1 0 0 0 0 3 17 2 0 0 0 0 4 26 1 0 0 0 0 4 28 1 0 0 0 0 5 26 2 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 13 1 0 0 0 0 6 29 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 17 1 0 0 0 0 8 17 1 0 0 0 0 8 22 1 0 0 0 0 8 50 1 0 0 0 0 9 11 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 12 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 19 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 23 1 0 0 0 0 14 24 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 18 2 0 0 0 0 16 21 1 0 0 0 0 18 20 1 0 0 0 0 19 25 1 0 0 0 0 19 27 2 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 22 2 0 0 0 0 21 26 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 M CHG 1 6 1 M END > 41010414 > 1 > 619 > 5 > 2 > 5 > AAADceB7OABAAAAAAAAAAAAAAAAAASAAAAAsSAAAAAAAAEgBgAAAHgQQAAAADETh2AYDiYPABAiMAgDSWACDAIBlCBkAiJEITMiIZjrgtZmWEYhu1gPo6WeYfB5OgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > methyl 5,5-dimethyl-2-[[4-(2-methylallyl)piperazin-4-ium-1-carbonyl]amino]-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate > 5,5-dimethyl-2-[[[4-(2-methylprop-2-enyl)-1-piperazin-4-iumyl]-oxomethyl]amino]-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid methyl ester > methyl 5,5-dimethyl-2-[[4-(2-methylprop-2-enyl)piperazin-4-ium-1-carbonyl]amino]-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate > methyl 5,5-dimethyl-2-[[4-(2-methylprop-2-enyl)piperazin-4-ium-1-carbonyl]amino]-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate > methyl 5,5-dimethyl-2-[[4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]carbonylamino]-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate > 5,5-dimethyl-2-[[4-(2-methylallyl)piperazin-4-ium-1-carbonyl]amino]-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid methyl ester > InChI=1S/C20H29N3O4S/c1-13(2)11-22-6-8-23(9-7-22)19(25)21-17-16(18(24)26-5)14-10-20(3,4)27-12-15(14)28-17/h1,6-12H2,2-5H3,(H,21,25)/p+1 > CQHBJSYUXUINOJ-UHFFFAOYSA-O > 2.9 > 408.19570262 > C20H30N3O4S+ > 408.5 > CC(=C)C[NH+]1CCN(CC1)C(=O)NC2=C(C3=C(S2)COC(C3)(C)C)C(=O)OC > CC(=C)C[NH+]1CCN(CC1)C(=O)NC2=C(C3=C(S2)COC(C3)(C)C)C(=O)OC > 101 > 408.19570262 > 1 > 28 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 18 8 1 22 8 16 18 8 16 21 8 21 22 8 $$$$