11018 -OEChem-10061700233D 51 53 0 1 0 0 0 0 0999 V2000 0.9283 -1.0514 0.2798 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0966 -0.4537 1.9203 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7277 -2.3455 -0.6533 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7803 -0.4088 0.7514 N 0 3 0 0 0 0 0 0 0 0 0 0 3.0748 -0.5254 -0.6276 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2718 -0.1373 0.4147 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2020 -0.8922 -1.5804 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3298 -0.0068 -1.0965 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1954 0.7555 1.5404 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6915 -1.6714 1.6035 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9025 -1.4915 -0.6517 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3795 -1.3564 -0.0196 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3273 -0.2761 0.5079 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8007 -0.5251 0.1765 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9050 1.1346 0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1191 -1.0484 -1.0554 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0386 2.1579 1.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7498 -0.2164 1.1235 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4076 1.3256 -1.1775 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4618 -1.2755 -1.3573 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6536 3.4437 0.6214 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0925 -0.4437 0.8214 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0225 2.6114 -1.5571 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4484 -0.9733 -0.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1455 3.6704 -0.6576 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7162 0.4848 -0.8669 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8611 -0.9960 0.7549 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6070 0.7656 0.9345 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9417 -0.6909 -2.6238 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4739 -1.9507 -1.4919 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3011 -0.3090 -1.4982 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1528 1.0343 -1.3923 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3043 1.6692 0.9485 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7531 0.8472 2.4774 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1429 0.5546 1.7492 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0527 -2.5188 1.0142 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6587 -1.8225 1.9254 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3265 -1.5295 2.4841 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2005 -2.5159 -0.4056 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4823 -1.5082 -1.6656 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2155 -0.1039 2.1397 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3891 -1.2360 -1.8344 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4419 2.0074 1.9972 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4953 0.2046 2.0907 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3175 0.5194 -1.8983 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7407 -1.6737 -2.3286 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7518 4.2689 1.3207 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8612 -0.2057 1.5507 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3703 2.7886 -2.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4942 -1.1464 -0.6556 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1532 4.6717 -0.9537 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 2 13 1 0 0 0 0 2 41 1 0 0 0 0 3 12 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 5 26 1 0 0 0 0 6 8 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 16 2 0 0 0 0 14 18 1 0 0 0 0 15 17 2 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 16 42 1 0 0 0 0 17 21 1 0 0 0 0 17 43 1 0 0 0 0 18 22 2 0 0 0 0 18 44 1 0 0 0 0 19 23 2 0 0 0 0 19 45 1 0 0 0 0 20 24 2 0 0 0 0 20 46 1 0 0 0 0 21 25 2 0 0 0 0 21 47 1 0 0 0 0 22 24 1 0 0 0 0 22 48 1 0 0 0 0 23 25 1 0 0 0 0 23 49 1 0 0 0 0 24 50 1 0 0 0 0 25 51 1 0 0 0 0 M CHG 1 4 1 M END > DB13507 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/CQRKVVAGMJJJSR-UHFFFAOYSA-N/SDF?record_type=3d > C[N+]1(C)CCCC1COC(=O)C(O)(C1=CC=CC=C1)C1=CC=CC=C1 > InChI=1S/C21H26NO3/c1-22(2)15-9-14-19(22)16-25-20(23)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19,24H,9,14-16H2,1-2H3/q+1 > CQRKVVAGMJJJSR-UHFFFAOYSA-N > C21H26NO3 > 340.442 > 340.190720121 > 2 > 51 > 37.7383425743644 > 1 > 1 > 1 > 0 > 2-{[(2-hydroxy-2,2-diphenylacetyl)oxy]methyl}-1,1-dimethylpyrrolidin-1-ium > -0.88 > -0.9746864134717452 > -5.85 > 1 > 3 > 1 > 11.048709090273139 > -4.527094643914528 > 46.53 > 109.39510000000004 > 6 > 1 > 5.37e-04 g/l > poldine > 0 $$$$