52473122 -OEChem-05142410242D 52 55 0 0 0 0 0 0 0999 V2000 8.2619 0.7500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.6783 -0.0547 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 1.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -0.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 1.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -0.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1279 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9939 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 1.5547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8600 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9939 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7260 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7260 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8600 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5920 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4580 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5920 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7988 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9519 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3445 1.8281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 2.2266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 -0.7266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3445 -0.3281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8695 2.2266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1793 1.8281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1793 -0.3281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8695 -0.7266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5264 1.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7294 1.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -0.6441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 2.1440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8600 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4570 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2629 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8600 -1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1289 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7680 -0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9950 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1480 0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9720 -1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5920 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2120 -1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 10 1 0 0 0 0 1 26 1 0 0 0 0 2 11 1 0 0 0 0 2 14 1 0 0 0 0 2 38 1 0 0 0 0 3 14 2 0 0 0 0 3 24 1 0 0 0 0 4 15 2 0 0 0 0 4 25 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 11 1 0 0 0 0 5 27 1 0 0 0 0 6 8 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 9 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 12 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 13 2 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 13 15 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 16 19 1 0 0 0 0 16 40 1 0 0 0 0 17 20 2 0 0 0 0 17 41 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 19 42 1 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 25 2 0 0 0 0 24 51 1 0 0 0 0 25 52 1 0 0 0 0 M CHG 1 1 1 M END > 52473122 > 1 > 410 > 2 > 2 > 4 > AAADceB7gAAAAAAAAAAAAAAAAAAAAWAAAAA8WIAAAAAAAFgB/AAAHAAQAAAADQjBHwQ/8L/JkACgAzZnZACCgC2xEqAJ2aA4dJiIaOLA2dGUJAhokALIyCcQgMAOwAAAAAAAAACAAAAAAAAAAAAAAAAAAA== > 6-[1-[(4-isopropylphenyl)methyl]piperidin-1-ium-4-yl]-5H-pyrrolo[2,3-b]pyrazine > 6-[1-[(4-propan-2-ylphenyl)methyl]-4-piperidin-1-iumyl]-5H-pyrrolo[2,3-b]pyrazine > 6-[1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium-4-yl]-5H-pyrrolo[2,3-b]pyrazine > 6-[1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium-4-yl]-5H-pyrrolo[2,3-b]pyrazine > 6-[1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium-4-yl]-5H-pyrrolo[2,3-b]pyrazine > 6-[1-(4-isopropylbenzyl)piperidin-1-ium-4-yl]-5H-pyrrolo[2,3-b]pyrazine > InChI=1S/C21H26N4/c1-15(2)17-5-3-16(4-6-17)14-25-11-7-18(8-12-25)19-13-20-21(24-19)23-10-9-22-20/h3-6,9-10,13,15,18H,7-8,11-12,14H2,1-2H3,(H,23,24)/p+1 > HATMCELTYJHKRK-UHFFFAOYSA-O > 3.6 > 335.22357188 > C21H27N4+ > 335.5 > CC(C)C1=CC=C(C=C1)C[NH+]2CCC(CC2)C3=CC4=NC=CN=C4N3 > CC(C)C1=CC=C(C=C1)C[NH+]2CCC(CC2)C3=CC4=NC=CN=C4N3 > 46 > 335.22357188 > 1 > 25 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 13 8 12 16 8 12 17 8 13 15 8 14 15 8 16 19 8 17 20 8 18 19 8 18 20 8 2 11 8 2 14 8 24 25 8 3 14 8 3 24 8 4 15 8 4 25 8 $$$$