51882036 -OEChem-05122402072D 52 53 0 1 0 0 0 0 0999 V2000 4.7320 -0.1340 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.3301 0.0000 N 0 3 3 0 0 0 0 0 0 0 0 0 3.2320 0.7321 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.8301 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 3.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 2.4641 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 4.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 5.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2320 2.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 -2.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 -4.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -3.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2320 -4.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -5.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 2.7932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.2101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 3.2475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 3.9378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9220 3.0010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 5.4127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 4.7225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 4.7225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 5.4127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 5.8051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 5.8051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 3.8671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.0201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 2.7932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2070 1.1995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2070 1.9966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2320 3.0841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6120 2.4641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2320 1.8441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6120 0.7321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6120 -1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2070 -2.2646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2070 -1.4675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7571 -2.3335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7571 -3.1306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6120 -4.4641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0420 -3.0611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 -5.8671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8520 -4.4641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0420 -5.8671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 23 1 0 0 0 0 3 12 1 0 0 0 0 3 14 1 0 0 0 0 3 42 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 4 43 1 0 0 0 0 5 8 1 0 0 0 0 5 11 1 6 0 0 0 5 24 1 0 0 0 0 6 9 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 6 0 0 0 7 27 1 0 0 0 0 8 10 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 9 31 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 11 36 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 48 1 0 0 0 0 19 21 2 0 0 0 0 19 49 1 0 0 0 0 20 22 2 0 0 0 0 20 50 1 0 0 0 0 21 22 1 0 0 0 0 21 51 1 0 0 0 0 22 52 1 0 0 0 0 M CHG 1 2 1 M END > 51882036 > 1 > 328 > 1 > 3 > 6 > AAADceB7AABAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABAAAAHAQQAAAADCjBGAQzAIPAAACEAiBCAAACAAAgAAkIiIAIAIiIYCKAkRGUIAAokAKIiAcQgIAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 1-[(2S)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]propyl]-3-(2-phenylethyl)thiourea > 1-[(2S)-2-[(2R)-2-methyl-1-piperidin-1-iumyl]propyl]-3-(2-phenylethyl)thiourea > 1-[(2S)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]propyl]-3-(2-phenylethyl)thiourea > 1-[(2S)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]propyl]-3-(2-phenylethyl)thiourea > 1-[(2S)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]propyl]-3-(2-phenylethyl)thiourea > 1-[(2S)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]propyl]-3-phenethyl-thiourea > InChI=1S/C18H29N3S/c1-15-8-6-7-13-21(15)16(2)14-20-18(22)19-12-11-17-9-4-3-5-10-17/h3-5,9-10,15-16H,6-8,11-14H2,1-2H3,(H2,19,20,22)/p+1/t15-,16+/m1/s1 > CHKMZPFQMBKFDN-CVEARBPZSA-O > 3.7 > 320.21604414 > C18H30N3S+ > 320.5 > CC1CCCC[NH+]1C(C)CNC(=S)NCCC2=CC=CC=C2 > C[C@@H]1CCCC[NH+]1[C@@H](C)CNC(=S)NCCC2=CC=CC=C2 > 60.6 > 320.21604414 > 1 > 22 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 17 18 8 17 19 8 18 20 8 19 21 8 20 22 8 21 22 8 5 11 6 7 13 6 $$$$