29943040 -OEChem-05052417532D 77 80 0 1 0 0 0 0 0999 V2000 8.0622 5.8660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.4282 5.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 4.1340 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 0.0000 0.0000 N 0 3 3 0 0 0 0 0 0 0 0 0 5.0981 2.0000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.5981 -2.8660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.3660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.8660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 1.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9641 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 3.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3660 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6962 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6962 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5622 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4081 -0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6215 0.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0200 -0.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1762 -0.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5747 0.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -0.7834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -1.4737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -1.4737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -0.7834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5747 1.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1762 2.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 0.1709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.0560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 -0.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -2.2584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -2.9486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -2.9486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -2.2584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5611 2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6760 2.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8291 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0560 1.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6215 3.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0200 2.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4272 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 2.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 5.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2331 3.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6760 5.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8291 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0560 4.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -2.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -2.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 -6.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -6.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 -5.3291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -5.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 37 1 0 0 0 0 2 37 1 0 0 0 0 3 37 1 0 0 0 0 4 23 1 0 0 0 0 4 34 1 0 0 0 0 5 24 2 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 39 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 7 21 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 8 24 1 0 0 0 0 9 31 2 0 0 0 0 9 38 1 0 0 0 0 10 32 1 0 0 0 0 10 38 2 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 11 18 1 0 0 0 0 12 16 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 17 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 19 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 20 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 22 1 6 0 0 0 16 48 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 18 53 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 21 23 1 1 0 0 0 21 25 1 0 0 0 0 21 58 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 22 61 1 0 0 0 0 23 62 1 0 0 0 0 23 63 1 0 0 0 0 24 26 1 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 26 31 1 0 0 0 0 26 32 2 0 0 0 0 27 29 1 0 0 0 0 27 64 1 0 0 0 0 28 30 2 0 0 0 0 28 65 1 0 0 0 0 29 33 2 0 0 0 0 29 66 1 0 0 0 0 30 33 1 0 0 0 0 30 67 1 0 0 0 0 31 35 1 0 0 0 0 32 36 1 0 0 0 0 33 37 1 0 0 0 0 34 68 1 0 0 0 0 34 69 1 0 0 0 0 34 70 1 0 0 0 0 35 71 1 0 0 0 0 35 72 1 0 0 0 0 35 73 1 0 0 0 0 36 74 1 0 0 0 0 36 75 1 0 0 0 0 36 76 1 0 0 0 0 38 77 1 0 0 0 0 M CHG 1 6 1 M END > 29943040 > 1 > 773 > 8 > 1 > 6 > AAADcfB7sYAAAAAAAAAAAAAAAAAAAAAAAAA8WLEAAAAAAAABwAAAHwAQAAAADKjhnhY3kJfIFACoAyVzdACCgCk1AKAJ2KE4RNiKaDrA2dGVJYhs1gPYyWeQwOAOQAAAAAAAAACAAAAAAAAAAAAAAAAAAA== > (4,6-dimethylpyrimidin-5-yl)-[4-[(3S)-4-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methyl-piperazin-1-ium-1-yl]-4-methyl-1-piperidyl]methanone > (4,6-dimethyl-5-pyrimidinyl)-[4-[(3S)-4-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methyl-1-piperazin-1-iumyl]-4-methyl-1-piperidinyl]methanone > (4,6-dimethylpyrimidin-5-yl)-[4-[(3S)-4-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methylpiperazin-1-ium-1-yl]-4-methylpiperidin-1-yl]methanone > (4,6-dimethylpyrimidin-5-yl)-[4-[(3S)-4-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methylpiperazin-1-ium-1-yl]-4-methylpiperidin-1-yl]methanone > (4,6-dimethylpyrimidin-5-yl)-[4-[(3S)-4-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methyl-piperazin-1-ium-1-yl]-4-methyl-piperidin-1-yl]methanone > (4,6-dimethylpyrimidin-5-yl)-[4-[(3S)-4-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methyl-piperazin-1-ium-1-yl]-4-methyl-piperidino]methanone > InChI=1S/C28H38F3N5O2/c1-19-16-35(14-15-36(19)24(17-38-5)22-6-8-23(9-7-22)28(29,30)31)27(4)10-12-34(13-11-27)26(37)25-20(2)32-18-33-21(25)3/h6-9,18-19,24H,10-17H2,1-5H3/p+1/t19-,24-/m0/s1 > CNPVJJQCETWNEU-CYFREDJKSA-O > 3.7 > 534.30558499 > C28H39F3N5O2+ > 534.6 > CC1C[NH+](CCN1C(COC)C2=CC=C(C=C2)C(F)(F)F)C3(CCN(CC3)C(=O)C4=C(N=CN=C4C)C)C > C[C@H]1C[NH+](CCN1[C@@H](COC)C2=CC=C(C=C2)C(F)(F)F)C3(CCN(CC3)C(=O)C4=C(N=CN=C4C)C)C > 63 > 534.30558499 > 1 > 38 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 32 8 10 38 8 16 22 6 21 23 5 25 27 8 25 28 8 26 31 8 26 32 8 27 29 8 28 30 8 29 33 8 30 33 8 9 31 8 9 38 8 $$$$