9308 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 8 8 7 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 3 1 1 1 2 2 3 3 3 3 4 4 4 5 5 6 6 6 7 7 8 8 9 9 9 10 10 10 11 11 11 12 12 12 4 8 7 32 5 9 10 11 5 6 13 14 15 7 16 17 8 18 12 19 20 21 22 23 24 25 26 27 28 29 30 31 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 1 1 1 1 1 1 4 1 6 5 13 2 1 7 2 8 6 18 2 1 8 1 12 7 19 2 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 5.2464 6.3342 2.7431 4.4374 3.4863 4.7464 5.7464 6.0554 2 2.074 3.4123 7.0064 4.3404 2.9977 3.7774 4.8112 4.1399 5.4649 6.1524 2.4149 1.5392 1.5851 1.6133 1.6592 2.5348 3.873 3.8271 2.9515 6.8148 7.5961 7.198 6.082 -1.4571 0.8907 -0.5092 -0.8693 -1.1784 0.0817 0.0817 -0.8693 0.1599 -1.2524 0.2339 -1.1784 -1.4817 -1.5601 -1.7258 0.6983 0.2106 0.6341 -1.4817 0.6207 0.5748 -0.3008 -0.8375 -1.7131 -1.6672 -0.1809 0.6947 0.6488 -1.768 -1.37 -0.5887 1.4571 6 5 6 4 7 8 5 2 12 1 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 153 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E0723000000000000000000000000000000120000000000000000000000000000000001E00000800000814E18006020003000600000000000000000000000000000000080000031002008000074000050000130001B010020000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [(2S,4R,5S)-4-hydroxy-5-methyl-tetrahydrofuran-2-yl]methyl-trimethyl-ammonium IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [(2S,4R,5S)-4-hydroxy-5-methyl-2-oxolanyl]methyl-trimethylammonium IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [(2<I>S</I>,4<I>R</I>,5<I>S</I>)-4-hydroxy-5-methyloxolan-2-yl]methyl-trimethylazanium IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [(2S,4R,5S)-4-hydroxy-5-methyloxolan-2-yl]methyl-trimethylazanium IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 trimethyl-[[(2S,4R,5S)-5-methyl-4-oxidanyl-oxolan-2-yl]methyl]azanium IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [(2S,4R,5S)-4-hydroxy-5-methyl-tetrahydrofuran-2-yl]methyl-trimethyl-ammonium InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C9H20NO2/c1-7-9(11)5-8(12-7)6-10(2,3)4/h7-9,11H,5-6H2,1-4H3/q+1/t7-,8-,9+/m0/s1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 UQOFGTXDASPNLL-XHNCKOQMSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 0.1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 174.149403881 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C9H20NO2+ Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 174.26 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1C(CC(O1)C[N+](C)(C)C)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C[C@H]1[C@@H](C[C@H](O1)C[N+](C)(C)C)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 29.5 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 174.149403881 12 3 3 0 0 0 0 0 1 -1