31800 -OEChem-10061700243D 54 56 0 1 0 0 0 0 0999 V2000 -0.7280 -0.5575 -0.3262 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4027 -0.4430 -1.9424 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6375 -2.0897 0.7112 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4315 -1.2390 0.0542 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.1162 -0.5012 -0.3262 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.6426 -0.4223 -0.4445 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1240 0.9415 0.2001 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6318 1.0013 0.0921 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3435 1.7231 -0.2644 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4982 -2.5968 -0.6667 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5633 -1.5110 1.5546 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8676 -1.2377 0.1629 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4951 -1.0876 0.0206 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6405 -0.2372 -0.5349 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0335 -0.7439 -0.1536 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4893 1.2482 -0.1995 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4266 -0.6615 1.1622 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8309 2.1772 -1.1552 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8390 -1.2620 -1.1412 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0181 1.5981 1.0449 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6961 -1.1232 1.5099 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6932 3.5312 -0.8497 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1085 -1.7236 -0.7936 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8805 2.9521 1.3504 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5371 -1.6543 0.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2181 3.9187 0.4032 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1004 -0.4611 -1.4241 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5518 -0.9500 -0.1346 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5963 -0.4180 -1.5405 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2308 1.4726 -0.1513 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0718 0.9566 1.2951 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7748 1.0054 1.1784 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4813 1.5502 -0.3308 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2928 1.8673 -1.3507 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3394 2.7211 0.1885 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3261 -2.4321 -1.7342 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7406 -3.2632 -0.2483 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4921 -3.0246 -0.5014 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4537 -0.5775 2.1084 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5508 -1.9453 1.7386 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7895 -2.2226 1.8541 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8420 -2.2646 -0.2129 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8258 -1.2558 1.2577 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6071 0.0542 -2.2006 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7870 -0.2768 1.9475 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2164 1.8981 -2.1306 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5415 -1.3309 -2.1818 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7445 0.8663 1.7979 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0279 -1.0745 2.5429 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9593 4.2840 -1.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7637 -2.1371 -1.5547 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5093 3.2540 2.3255 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5251 -2.0150 0.8029 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1115 4.9730 0.6413 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 14 1 0 0 0 0 2 44 1 0 0 0 0 3 13 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 7 1 0 0 0 0 5 12 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 9 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 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 11 41 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 17 2 0 0 0 0 15 19 1 0 0 0 0 16 18 2 0 0 0 0 16 20 1 0 0 0 0 17 21 1 0 0 0 0 17 45 1 0 0 0 0 18 22 1 0 0 0 0 18 46 1 0 0 0 0 19 23 2 0 0 0 0 19 47 1 0 0 0 0 20 24 2 0 0 0 0 20 48 1 0 0 0 0 21 25 2 0 0 0 0 21 49 1 0 0 0 0 22 26 2 0 0 0 0 22 50 1 0 0 0 0 23 25 1 0 0 0 0 23 51 1 0 0 0 0 24 26 1 0 0 0 0 24 52 1 0 0 0 0 25 53 1 0 0 0 0 26 54 1 0 0 0 0 M CHG 1 4 1 M END > DB13542 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/UHUMRJKDOOEQIG-UHFFFAOYSA-N/SDF?record_type=3d > C[N+]1(C)CCCCC1COC(=O)C(O)(C1=CC=CC=C1)C1=CC=CC=C1 > InChI=1S/C22H28NO3/c1-23(2)16-10-9-15-20(23)17-26-21(24)22(25,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-8,11-14,20,25H,9-10,15-17H2,1-2H3/q+1 > UHUMRJKDOOEQIG-UHFFFAOYSA-N > C22H28NO3 > 354.469 > 354.206370186 > 2 > 54 > 39.5013177375505 > 1 > 1 > 1 > 0 > 2-{[(2-hydroxy-2,2-diphenylacetyl)oxy]methyl}-1,1-dimethylpiperidin-1-ium > -0.64 > -0.5301177484717454 > -6.12 > 1 > 3 > 1 > 11.048709100175378 > -4.52709463958329 > 46.53 > 113.99610000000004 > 6 > 1 > 2.97e-04 g/l > bevonium > 0 $$$$