60196381 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 15 9 9 9 9 9 9 7 7 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 9 1 1 1 1 1 1 1 8 8 8 9 9 9 10 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 21 22 22 22 23 24 24 25 25 25 26 27 27 27 2 3 4 5 6 7 20 23 24 23 26 27 11 12 28 29 13 30 31 14 32 33 15 34 35 16 36 37 17 38 39 18 40 41 19 42 43 20 44 45 21 46 47 48 49 22 50 51 25 52 53 54 26 55 56 57 58 59 60 61 62 1 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 2 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 11.0545 11.9205 10.1885 10.1885 11.0545 11.0545 11.9205 6.5991 7.0991 4.001 4.001 4.8671 3.135 4.8671 3.135 5.7331 2.269 5.7331 2.269 6.5991 1.403 1.403 7.4081 5.7901 0.5369 6.0991 7.6869 3.789 3.3905 4.2131 4.6116 5.0791 5.4776 2.923 2.5244 4.655 4.2565 3.3471 3.7456 5.9451 6.3437 2.0569 1.6584 5.521 5.1225 2.481 2.8796 6.8112 7.2097 1.1909 0.7924 1.615 2.0135 7.9978 5.2004 0.2269 0 0.8469 5.7347 8.1885 8.0513 7.1853 6.9432 7.4432 6.4432 7.4432 5.9432 7.9432 6.4432 11.0369 12.5758 6.5369 5.5369 7.0369 5.0369 8.0369 4.0369 8.5369 3.5369 9.5369 2.5369 10.0369 2.0369 1.0369 11.6247 11.6247 0.5369 12.5758 13.3848 7.1195 6.4293 4.9543 5.6446 6.4543 7.1446 5.6195 4.9293 8.6195 7.9293 3.4543 4.1446 7.9543 8.6446 4.1195 3.4293 10.1195 9.4293 1.9543 2.6446 9.4543 10.1446 2.6196 1.9293 0.4543 1.1446 11.4331 11.4331 1.0739 0.2269 0 13.0774 13.0204 13.8864 13.7492 8 8 8 8 8 8 8 9 9 24 23 24 23 26 26 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 268 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 7 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 13 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371F07B01C2000000000000000000000000000160000000000000000000000000018000001C00000008000800C102042F90170C1000A0001027640000802D1112A00940001830008048020088001400000800028000211080800000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 1-methyl-3-tetradecyl-imidazol-1-ium;hexafluorophosphate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 1-methyl-3-tetradecylimidazol-1-ium;hexafluorophosphate IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 1-methyl-3-tetradecylimidazol-1-ium;hexafluorophosphate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 1-methyl-3-tetradecylimidazol-1-ium;hexafluorophosphate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 1-methyl-3-tetradecyl-imidazol-1-ium;hexafluorophosphate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 1-methyl-3-myristyl-imidazol-1-ium;hexafluorophosphate InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C18H35N2.F6P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-17-16-19(2)18-20;1-7(2,3,4,5)6/h16-18H,3-15H2,1-2H3;/q+1;-1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 VYARLXKWHFGQBN-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 424.24420510 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C18H35F6N2P Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 424.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCCCCCCCCCCCN1C=C[N+](=C1)C.F[P-](F)(F)(F)(F)F SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCCCCCCCCCCCN1C=C[N+](=C1)C.F[P-](F)(F)(F)(F)F Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 8.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 424.24420510 27 0 0 0 0 0 0 0 2 -1