9372276 -OEChem-05132409232D 56 58 0 1 0 0 0 0 0999 V2000 2.0000 -4.9820 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.6340 2.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -2.3840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3660 5.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -0.6519 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.5000 1.3481 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2320 4.3481 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3660 2.8481 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6340 -0.1519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3660 -0.1519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6340 0.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3660 0.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2320 2.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 2.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3660 3.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0981 2.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -1.5180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0981 3.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -2.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2320 5.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0981 5.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -4.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -4.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -4.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -5.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -4.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -5.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -1.1889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3660 2.2281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0234 -0.0443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4219 -0.7345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5781 -0.7345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9766 -0.0443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4219 1.4307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0234 0.7404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9766 0.7404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5781 1.4307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8335 1.8731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6306 1.8731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1540 4.4307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7554 3.7404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3101 2.2655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7087 2.9557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 -1.1194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 -1.9165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7087 3.7404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3101 4.4307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4081 5.3111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6350 6.1581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7881 6.3850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3800 -3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8100 -3.5791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1900 -6.3850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6200 -4.9820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8100 -6.3850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 15 2 0 0 0 0 3 20 2 0 0 0 0 4 21 2 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 18 1 0 0 0 0 5 29 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 15 1 0 0 0 0 7 16 1 0 0 0 0 7 19 1 0 0 0 0 7 21 1 0 0 0 0 8 20 1 0 0 0 0 8 23 1 0 0 0 0 8 52 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 1 0 0 0 9 16 1 0 0 0 0 9 30 1 0 0 0 0 10 12 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 13 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 17 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 19 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 20 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 21 22 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 24 26 2 0 0 0 0 25 27 1 0 0 0 0 25 53 1 0 0 0 0 26 28 1 0 0 0 0 26 54 1 0 0 0 0 27 28 2 0 0 0 0 27 55 1 0 0 0 0 28 56 1 0 0 0 0 M CHG 1 5 1 M END > 9372276 > 1 > 580 > 3 > 2 > 4 > AAADceB7sAAEAAAAAAAAAAAAAAAAAAAAAAA8WIAAAAAAAAABAAAAHgIQAAAADQrBkCQywIPAAACIACVSUACCAAAhBwAIiIGIZogIYDrB07HUIAhglgDIyAcYAQAMAAAAAAAAABAAAAAAAAAAIAAAAAAAAA== > 2-[4-[(3R)-1-acetylpiperidine-3-carbonyl]piperazin-1-ium-1-yl]-N-(2-chlorophenyl)acetamide > 2-[4-[[(3R)-1-acetyl-3-piperidinyl]-oxomethyl]-1-piperazin-1-iumyl]-N-(2-chlorophenyl)acetamide > 2-[4-[(3R)-1-acetylpiperidine-3-carbonyl]piperazin-1-ium-1-yl]-N-(2-chlorophenyl)acetamide > 2-[4-[(3R)-1-acetylpiperidine-3-carbonyl]piperazin-1-ium-1-yl]-N-(2-chlorophenyl)acetamide > N-(2-chlorophenyl)-2-[4-[(3R)-1-ethanoylpiperidin-3-yl]carbonylpiperazin-1-ium-1-yl]ethanamide > 2-[4-[(3R)-1-acetylnipecotoyl]piperazin-1-ium-1-yl]-N-(2-chlorophenyl)acetamide > InChI=1S/C20H27ClN4O3/c1-15(26)25-8-4-5-16(13-25)20(28)24-11-9-23(10-12-24)14-19(27)22-18-7-3-2-6-17(18)21/h2-3,6-7,16H,4-5,8-14H2,1H3,(H,22,27)/p+1/t16-/m1/s1 > LQVJEJAQBIJNDA-MRXNPFEDSA-O > 1 > 407.1849935 > C20H28ClN4O3+ > 407.9 > CC(=O)N1CCCC(C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3Cl > CC(=O)N1CCC[C@H](C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3Cl > 74.2 > 407.1849935 > 1 > 28 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 23 24 8 23 25 8 24 26 8 25 27 8 26 28 8 27 28 8 9 15 5 $$$$