57508659 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 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 8 8 8 8 8 7 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6 1 1 1 2 2 3 3 4 4 5 6 6 6 6 7 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 21 21 22 22 23 23 23 24 24 24 25 25 25 20 67 21 68 22 69 26 70 26 13 14 15 27 8 9 28 29 10 30 31 11 32 33 12 34 35 16 36 37 17 38 39 20 40 41 21 42 43 22 44 45 18 46 47 19 48 49 23 50 51 24 52 53 54 55 56 57 58 59 25 60 61 26 62 63 64 65 66 1 1 1 1 1 1 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 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 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 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 5.3976 8.4957 4.1656 0.5369 1.403 5.8976 7.4651 6.5991 8.3312 5.7331 9.1972 4.8671 5.3976 6.7637 5.0316 10.0632 4.001 10.9292 3.135 5.8976 7.6297 5.0316 11.7953 2.269 12.6613 1.403 6.2076 7.8637 7.0666 6.2006 6.9976 7.9326 8.7297 6.1316 5.3346 9.5957 8.7987 4.4685 5.2656 4.9227 4.9227 7.1622 6.3651 4.8196 4.421 9.6647 10.4617 4.3996 3.6025 11.3278 10.5307 2.7365 3.5335 6.3726 6.3726 7.2312 8.0282 5.2437 5.6422 11.3967 12.1938 2.6675 1.8705 12.9713 13.1982 12.3513 5.7076 9.0326 4.1656 0 5.2181 3.12 0.62 9.255 7.755 2.62 9.255 8.755 8.755 9.255 9.255 8.755 3.486 3.12 2.12 8.755 9.255 9.255 8.755 4.352 2.62 1.12 8.755 9.255 9.255 8.755 2.0831 9.73 9.73 8.2801 8.2801 8.2801 8.2801 9.73 9.73 9.73 9.73 8.2801 8.2801 3.8846 3.0875 3.595 3.595 2.7026 2.0123 8.2801 8.2801 9.73 9.73 9.73 9.73 8.2801 8.2801 3.9535 4.7506 2.145 2.145 0.5374 1.2277 8.2801 8.2801 9.73 9.73 8.7181 9.565 9.792 5.755 2.81 0 8.945 1 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 211 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 18 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371F07A3800000000000000000000000000000000000000000000000000000000000000001E00100800000800E18006020803C0020008000090080000000000000000008108000002101200000000400004100090000188C8A08000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 tetradecanoic acid;tris(2-hydroxyethyl)ammonium IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 tetradecanoic acid;tris(2-hydroxyethyl)ammonium IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 tetradecanoic acid;tris(2-hydroxyethyl)azanium IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 tetradecanoic acid;tris(2-hydroxyethyl)azanium IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 tetradecanoic acid;tris(2-hydroxyethyl)azanium IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 myristic acid;tris(2-hydroxyethyl)ammonium InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C14H28O2.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;8-4-1-7(2-5-9)3-6-10/h2-13H2,1H3,(H,15,16);8-10H,1-6H2/p+1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 IHUMNXSBUOIDQI-UHFFFAOYSA-O Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 378.32194850 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C20H44NO5+ Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 378.6 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCCCCCCCCCCC(=O)O.C(CO)[NH+](CCO)CCO SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCCCCCCCCCCC(=O)O.C(CO)[NH+](CCO)CCO Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 102 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 378.32194850 26 0 0 0 0 0 0 0 2 -1