67570951 -OEChem-03182422082D 41 42 0 0 0 0 0 0 0999 V2000 5.0827 0.0000 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 0.0000 5.7665 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.5443 3.9618 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5443 5.5712 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.6279 3.9005 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 5.2665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1279 4.7665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 4.2665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 5.7665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8550 6.5218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1279 4.7665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 3.7665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6279 3.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6279 3.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6279 3.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 5.2665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 4.2665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 3.0345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 4.7665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1279 3.0345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1279 4.7665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1279 3.0345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1279 4.7665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 6.3865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4443 6.3292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0476 7.1111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2656 6.7144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4379 5.3035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 3.1465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3179 3.3636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3291 3.9565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8179 2.4975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8179 5.3035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4379 2.4975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4379 5.3035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5910 2.7245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4379 2.4975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6648 3.3445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6648 4.4565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4379 5.3035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5910 5.0765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 16 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 6 1 0 0 0 0 4 7 2 0 0 0 0 4 10 1 0 0 0 0 5 14 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 9 16 2 0 0 0 0 9 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 15 2 0 0 0 0 11 28 1 0 0 0 0 12 17 2 0 0 0 0 12 29 1 0 0 0 0 13 15 1 0 0 0 0 13 18 2 0 0 0 0 13 19 1 0 0 0 0 14 20 2 0 0 0 0 14 21 1 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 17 31 1 0 0 0 0 18 20 1 0 0 0 0 18 32 1 0 0 0 0 19 21 2 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 M CHG 2 1 -1 4 1 M END > 67570951 > 1 > 393 > 3 > 0 > 3 > AAADceB7AABEAgAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgB9AAAHAYAAAAADAqBXiQywbMMEAikAyRiRACD8KBhDzhI2Dw4ZpgIIKLhk5GEIAhggADoyAcQgAAOCAIAAAIAAQAQBAAABAACAAAAAAAAAA== > 4-[(E)-2-(5-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)vinyl]-N,N-dimethyl-aniline;iodide > 4-[(E)-2-(5-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N,N-dimethylaniline;iodide > 4-[(E)-2-(5-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N,N-dimethylaniline;iodide > 4-[(E)-2-(5-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N,N-dimethylaniline;iodide > 4-[(E)-2-(5-chloranyl-3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N,N-dimethyl-aniline;iodide > [4-[(E)-2-(5-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)vinyl]phenyl]-dimethyl-amine;iodide > InChI=1S/C18H18ClN2S.HI/c1-20(2)15-8-4-13(5-9-15)6-11-18-21(3)16-12-14(19)7-10-17(16)22-18;/h4-12H,1-3H3;1H/q+1;/p-1 > AKXBPYPZYSEPDT-UHFFFAOYSA-M > 455.99240 > C18H18ClIN2S > 456.8 > C[N+]1=C(SC2=C1C=C(C=C2)Cl)C=CC3=CC=C(C=C3)N(C)C.[I-] > C[N+]1=C(SC2=C1C=C(C=C2)Cl)/C=C/C3=CC=C(C=C3)N(C)C.[I-] > 35.4 > 455.99240 > 0 > 23 > 0 > 0 > 1 > 0 > 0 > 2 > -1 > 1 5 255 > 12 17 8 13 18 8 13 19 8 14 20 8 14 21 8 16 17 8 18 20 8 19 21 8 3 7 8 3 8 8 4 6 8 4 7 8 6 8 8 6 9 8 8 12 8 9 16 8 $$$$