9443478 -OEChem-03182423092D 42 43 0 1 0 0 0 0 0999 V2000 4.0000 -0.7610 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.1340 2.7390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -0.7610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 -0.7610 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.0000 -2.4930 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8660 2.7390 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1340 -0.2610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8660 -0.2610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 1.2390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1340 0.7390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8660 0.7390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 -1.6270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0000 -2.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 2.2390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -1.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -2.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -1.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -3.3590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -1.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -3.3590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3100 -1.2979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5234 -0.1533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9219 -0.8436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0781 -0.8436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4766 -0.1533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5369 1.5490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9219 1.3216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5234 0.6314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4766 0.6314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0781 1.3216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1200 -1.6270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4631 -2.8030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3100 -3.0300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5369 -2.1830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3100 -3.0300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8660 3.3590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4030 2.4290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -3.8960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 -1.0900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 -3.8960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -2.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 14 2 0 0 0 0 3 15 2 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 12 1 0 0 0 0 4 22 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 5 36 1 0 0 0 0 6 14 1 0 0 0 0 6 37 1 0 0 0 0 6 38 1 0 0 0 0 7 10 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 11 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 1 0 0 0 12 15 1 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 17 19 2 0 0 0 0 18 20 1 0 0 0 0 18 39 1 0 0 0 0 19 21 1 0 0 0 0 19 40 1 0 0 0 0 20 21 2 0 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 M CHG 1 4 1 M END > 9443478 > 1 > 383 > 2 > 3 > 4 > AAADceBzMAAEAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABAAAAHgIQAAAADSrBkCQywIPAAACIACVSUACCAAAhBwAIiIGIZogIYDLBk7HUIAhglADIyAcUAAAKAAAAAAAAABAAAAAAAAAAIAAAAAAAAA== > 1-[(1S)-2-(2-chloroanilino)-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-carboxamide > 1-[(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxamide > 1-[(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl]piperidin-1-ium-4-carboxamide > 1-[(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl]piperidin-1-ium-4-carboxamide > 1-[(2S)-1-[(2-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxamide > 1-[(1S)-2-(2-chloroanilino)-2-keto-1-methyl-ethyl]piperidin-1-ium-4-carboxamide > InChI=1S/C15H20ClN3O2/c1-10(19-8-6-11(7-9-19)14(17)20)15(21)18-13-5-3-2-4-12(13)16/h2-5,10-11H,6-9H2,1H3,(H2,17,20)(H,18,21)/p+1/t10-/m0/s1 > IEMHLFCIHQJOBL-JTQLQIEISA-O > 1.6 > 310.1322296 > C15H21ClN3O2+ > 310.80 > CC(C(=O)NC1=CC=CC=C1Cl)[NH+]2CCC(CC2)C(=O)N > C[C@@H](C(=O)NC1=CC=CC=C1Cl)[NH+]2CCC(CC2)C(=O)N > 76.6 > 310.1322296 > 1 > 21 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 13 5 16 17 8 16 18 8 17 19 8 18 20 8 19 21 8 20 21 8 $$$$