53453196 -OEChem-03282410572D 46 47 0 0 0 0 0 0 0999 V2000 4.5981 2.2306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0570 2.8184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.2306 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.4641 0.7306 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5622 0.3646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 2.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 3.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 3.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7522 1.7675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 0.2556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 0.2556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 1.7055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 1.7055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2382 1.1936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.0406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 2.2675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0252 0.0546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8722 -0.1724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0991 0.6746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.1106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.9206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2647 2.6268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.9594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.9594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7304 4.2710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0016 4.2710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.3894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 14 1 0 0 0 0 2 23 1 0 0 0 0 3 15 2 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 25 1 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 5 36 1 0 0 0 0 6 12 1 0 0 0 0 6 15 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 3 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 14 17 2 0 0 0 0 15 16 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 17 20 1 0 0 0 0 17 39 1 0 0 0 0 18 21 1 0 0 0 0 18 40 1 0 0 0 0 19 22 2 0 0 0 0 19 41 1 0 0 0 0 20 23 2 0 0 0 0 20 42 1 0 0 0 0 21 24 2 0 0 0 0 21 43 1 0 0 0 0 22 24 1 0 0 0 0 22 44 1 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 M CHG 1 4 1 M END > 53453196 > 1 > 456 > 3 > 3 > 7 > AAADceB7MAAAAAAAAAAAAAAAAAAAASAAAAAwAAAAAAAAAAABwAAAHgAQAAAADAzhmAYyBIPABECIAq1S0ACCCAAkIgAIiIGODMgMZjKEtTuWOSjk1hGIqceYiACOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 2-[[2-benzamido-3-(2-furyl)prop-2-enoyl]amino]ethyl-dimethyl-ammonium > 2-[[2-benzamido-3-(2-furanyl)-1-oxoprop-2-enyl]amino]ethyl-dimethylammonium > 2-[[2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]ethyl-dimethylazanium > 2-[[2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]ethyl-dimethylazanium > 2-[[2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]ethyl-dimethyl-azanium > 2-[[2-benzamido-3-(2-furyl)acryloyl]amino]ethyl-dimethyl-ammonium > InChI=1S/C18H21N3O3/c1-21(2)11-10-19-18(23)16(13-15-9-6-12-24-15)20-17(22)14-7-4-3-5-8-14/h3-9,12-13H,10-11H2,1-2H3,(H,19,23)(H,20,22)/p+1 > BQWKYYPRNBIALR-UHFFFAOYSA-O > 1.8 > 328.16611657 > C18H22N3O3+ > 328.4 > C[NH+](C)CCNC(=O)C(=CC1=CC=CO1)NC(=O)C2=CC=CC=C2 > C[NH+](C)CCNC(=O)C(=CC1=CC=CO1)NC(=O)C2=CC=CC=C2 > 75.8 > 328.16611657 > 1 > 24 > 0 > 0 > 0 > 1 > 0 > 1 > -1 > 1 5 255 > 12 13 1 14 17 8 16 18 8 16 19 8 17 20 8 18 21 8 19 22 8 2 14 8 2 23 8 20 23 8 21 24 8 22 24 8 $$$$