23056 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 8 8 8 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 4 4 4 5 5 5 5 6 6 7 7 7 8 8 8 9 9 10 10 11 11 12 13 13 14 14 15 15 16 16 17 17 18 18 19 19 20 20 21 21 22 22 23 23 24 25 6 12 12 13 38 9 10 11 6 7 8 26 9 27 10 28 29 11 30 31 32 33 34 35 36 37 13 14 15 16 18 17 19 20 39 21 40 22 41 23 42 24 43 25 44 24 45 25 46 47 48 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 2 1 2 1 2 1 2 1 1 1 1 1 1 1 6 1 5 9 27 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 6.1225 6.5708 4.639 8.3251 8.0662 7.0884 6.6935 9.4652 7.9545 6.3515 9.724 5.8637 4.8978 3.9318 5.1566 3.2247 4.4495 3.673 6.1225 2.2588 4.7083 2.7071 6.3813 2 5.6742 8.0843 7.0075 6.1152 6.928 9.2703 10.0591 8.5362 7.6913 6.1572 5.7658 10.318 9.9189 4.0401 3.3852 3.8506 4.1114 6.5609 1.8204 4.2699 2.5466 6.9802 1.4011 5.8347 -0.7286 0.9445 -0.4697 -1.836 -2.8019 -0.9874 -3.394 -3.3108 -0.4874 -2.4543 -2.3448 0.2374 0.4962 0.755 1.4621 0.0479 2.1692 1.7209 1.7209 0.3067 3.1351 1.9798 2.6869 1.2726 3.394 -3.4217 -0.3727 -3.6173 -3.9679 -3.8993 -3.4885 -0.2729 0.074 -1.8655 -2.6575 -2.5226 -1.7563 -0.6302 -0.551 2.0088 2.1593 1.2825 -0.1317 3.5736 2.5786 2.8473 1.4331 3.9928 3 8 8 8 8 8 8 8 8 8 8 8 8 6 14 14 15 15 16 17 18 19 20 21 22 23 1 16 18 17 19 20 21 22 23 24 25 24 25 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 442 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07A30000000000000000000000000000000000000003C78B1020000000000014000001E00000800000D54E19806300883000600880220D208020200002000000888014808880B263280951087700024C0019B9807B8C8E08E80000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 quinuclidin-3-yl 2-hydroxy-2,2-diphenyl-acetate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-hydroxy-2,2-diphenylacetic acid 1-azabicyclo[2.2.2]octan-3-yl ester IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2,2-diphenylacetate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2,2-diphenylacetate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-azabicyclo[2.2.2]octan-3-yl 2-oxidanyl-2,2-diphenyl-ethanoate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-hydroxy-2,2-diphenyl-acetic acid quinuclidin-3-yl ester InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C21H23NO3/c23-20(25-19-15-22-13-11-16(19)12-14-22)21(24,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,16,19,24H,11-15H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 HGMITUYOCPPQLE-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 337.16779360 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C21H23NO3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 337.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CN2CCC1C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CN2CCC1C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 49.8 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 337.16779360 25 1 0 1 0 0 0 0 1 1