25 27 0 0000 0 0 0 0 0999 V2000 11.3568 -1.1811 0.0000 Br 0 5 0 0 0 0 0 0 0 0 0 5.7125 -4.0090 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0.0000 -4.6563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 8.0406 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 4.5654 -4.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.4070 -4.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.4070 -2.6802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.5654 -2.0215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.7125 -2.6802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.5654 -5.9737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.2486 -4.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.8595 -1.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.2486 -2.0215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.5654 -0.6587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.8595 -4.6904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.1016 -4.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.8595 -0.6587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.1016 -2.6802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.7125 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.4070 -6.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.7125 -6.6665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.4070 -7.9952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.7125 -7.9952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.0406 -4.0430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.5654 -8.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2 5 2 0 2 9 1 0 2 15 1 0 3 16 1 0 4 17 1 0 5 6 1 0 5 10 1 0 6 7 2 0 6 11 1 0 7 8 1 0 7 13 1 0 8 9 2 0 8 14 1 0 9 12 1 0 10 20 2 0 10 21 1 0 11 16 2 0 12 17 2 0 13 18 2 0 14 19 2 0 15 24 1 0 16 18 1 0 17 19 1 0 20 22 1 0 21 23 2 0 22 25 2 0 23 25 1 0 M CHG 2 1 -1 2 1 M END > InChI=1S/C21H19N3.BrH/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14;/h3-13,23H,2,22H2,1H3;1H > ZMMJGEGLRURXTF-UHFFFAOYSA-N > 1/5/N:24,15,25,22,23,20,21,18,19,13,14,11,12,10,16,17,7,8,6,9,5,3,4,2;1/E:(4,5)(6,7);/rA:25nBr-N+NNCCCCCCCCCCCCCCCCCCCCC/rB:;;;d2;s5;d6;s7;s2d8;s5;s6;s9;s7;s8;s2;s3d11;s4d12;d13s16;d14s17;d10;s10;s20;d21;s15;d22s23;/rC:11.3568,-1.1811,0;5.7125,-4.009,0;0,-4.6563,0;8.0406,0,0;4.5654,-4.6563,0;3.407,-4.009,0;3.407,-2.6802,0;4.5654,-2.0215,0;5.7125,-2.6802,0;4.5654,-5.9737,0;2.2486,-4.6563,0;6.8595,-1.9874,0;2.2486,-2.0215,0;4.5654,-.6587,0;6.8595,-4.6904,0;1.1016,-4.009,0;6.8595,-.6587,0;1.1016,-2.6802,0;5.7125,0,0;3.407,-6.6324,0;5.7125,-6.6665,0;3.407,-7.9952,0;5.7125,-7.9952,0;8.0406,-4.043,0;4.5654,-8.6539,0; > C21 H20 Br N3 > 394.3076 > [Br-].[N+]1(CC)C2C=C(C=CC=2C2C=CC(=CC=2C=1C1C=CC=CC=1)N)N > 14034 $$$$