70675790 -OEChem-04262409542D 62 65 0 0 0 0 0 0 0999 V2000 5.8723 2.0040 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5733 8.0464 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.9393 9.4125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.9393 7.6804 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.6140 0.9731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1714 8.5464 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.3053 10.0464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4024 1.9798 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.3422 1.9798 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1306 0.9731 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8723 4.0040 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3986 0.9798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2704 2.4765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2627 0.4765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1345 1.9731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5384 2.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4742 2.4765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3460 0.9798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2063 2.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7384 2.5040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6323 1.9693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7384 3.5040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5384 3.5248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6323 4.0386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0063 2.5040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0063 3.5040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6102 1.9731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4820 0.4765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1124 1.9693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1124 4.0386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2063 3.5248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6207 5.0386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1239 5.0386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4393 8.5464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3053 9.0464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7884 1.0898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1843 0.3980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6708 2.9499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8737 2.9530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8623 0.0031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6594 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7446 1.8631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3488 2.5549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6664 0.6611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8710 2.9530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 2.9499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5604 0.3980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9562 1.0898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6251 1.3493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0741 3.8368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3959 2.5549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.8631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0853 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8823 0.0031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1195 1.3493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6706 3.8368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2407 5.0457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6136 5.6585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0008 5.0314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7439 5.0314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1311 5.6585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5040 5.0457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 25 1 0 0 0 0 2 34 1 0 0 0 0 3 34 1 0 0 0 0 4 34 1 0 0 0 0 5 27 1 0 0 0 0 5 28 1 0 0 0 0 6 35 1 0 0 0 0 7 35 2 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 8 16 2 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 10 44 1 0 0 0 0 11 22 2 0 0 0 0 11 26 1 0 0 0 0 12 14 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 15 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 21 1 0 0 0 0 16 23 1 0 0 0 0 17 27 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 28 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 29 2 0 0 0 0 19 31 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 49 1 0 0 0 0 22 24 1 0 0 0 0 23 24 2 0 0 0 0 23 50 1 0 0 0 0 24 32 1 0 0 0 0 25 26 2 0 0 0 0 25 29 1 0 0 0 0 26 30 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 29 55 1 0 0 0 0 30 31 2 0 0 0 0 30 33 1 0 0 0 0 31 56 1 0 0 0 0 32 57 1 0 0 0 0 32 58 1 0 0 0 0 32 59 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 33 62 1 0 0 0 0 34 35 1 0 0 0 0 M CHG 2 6 -1 8 1 M END > 70675790 > 1 > 820 > 10 > 1 > 1 > AAADceB7sYBAAAAAAAAAAAAAAAAAAAAAAAA8WIECAAAAAACBAAAAHwQQAAAADAjh2BYyyYPABAioAyTyTACCAAAhChAAiJw4ZJgKYCLgkZGXIAxgkAD4yAcQgAAOAACAwCACAQAAAQGAQAQCAAAAAAAAAA== > 4-(1,9-dimethyl-7-piperazin-1-ium-1-ylidene-phenothiazin-3-yl)morpholine;2,2,2-trifluoroacetate > 4-[1,9-dimethyl-7-(1-piperazin-1-iumylidene)-3-phenothiazinyl]morpholine;2,2,2-trifluoroacetate > 4-(1,9-dimethyl-7-piperazin-1-ium-1-ylidenephenothiazin-3-yl)morpholine;2,2,2-trifluoroacetate > 4-(1,9-dimethyl-7-piperazin-1-ium-1-ylidenephenothiazin-3-yl)morpholine;2,2,2-trifluoroacetate > 4-(1,9-dimethyl-7-piperazin-1-ium-1-ylidene-phenothiazin-3-yl)morpholine;2,2,2-tris(fluoranyl)ethanoate > 4-(1,9-dimethyl-7-piperazin-1-ium-1-ylidene-phenothiazin-3-yl)morpholine;2,2,2-trifluoroacetate > InChI=1S/C22H27N4OS.C2HF3O2/c1-15-11-17(25-5-3-23-4-6-25)13-19-21(15)24-22-16(2)12-18(14-20(22)28-19)26-7-9-27-10-8-26;3-2(4,5)1(6)7/h11-14,23H,3-10H2,1-2H3;(H,6,7)/q+1;/p-1 > QUOBOAVYZROVND-UHFFFAOYSA-M > 508.17559640 > C24H27F3N4O3S > 508.6 > CC1=CC(=CC2=C1N=C3C(=CC(=[N+]4CCNCC4)C=C3S2)C)N5CCOCC5.C(=O)(C(F)(F)F)[O-] > CC1=CC(=CC2=C1N=C3C(=CC(=[N+]4CCNCC4)C=C3S2)C)N5CCOCC5.C(=O)(C(F)(F)F)[O-] > 105 > 508.17559640 > 0 > 35 > 0 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 1 20 8 1 25 8 11 22 8 11 26 8 16 21 8 16 23 8 19 29 8 19 31 8 20 21 8 22 24 8 23 24 8 25 26 8 25 29 8 26 30 8 30 31 8 $$$$