60196379 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 16 16 9 9 9 9 9 9 8 8 8 8 7 7 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 14 1 15 -1 1 1 1 1 2 2 2 2 3 4 5 6 7 8 13 13 13 14 14 14 16 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 27 27 27 28 28 28 29 30 30 31 31 31 32 33 33 33 9 10 15 34 11 12 15 35 34 34 34 35 35 35 26 29 30 29 32 33 17 18 36 37 19 38 39 20 40 41 21 42 43 22 44 45 23 46 47 24 48 49 25 50 51 26 52 53 27 54 55 56 57 28 58 59 31 60 61 62 32 63 64 65 66 67 68 69 70 2 2 1 1 2 2 1 1 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 63 64 65 66 67 68 69 70 13.6526 11.9205 15.3846 14.0186 15.0186 10.1885 10.5545 11.5545 13.1526 14.1526 11.4205 12.4205 6.5991 7.0991 12.7866 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 14.5186 11.0545 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 6.6932 6.6932 7.6932 8.0592 6.3272 7.6932 6.3272 8.0592 7.5592 5.8272 5.8272 7.5592 11.0369 12.5758 6.1932 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 7.1932 7.1932 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 13 13 14 14 30 29 30 29 32 32 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 579 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 11 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 15 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371F07B39C0600000000000000000000000000160000000000000000000000000018000001D04004000000800C102142F90170C1002A0001027647000802D1112A00940001830008048020088001400000800028000211080800000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 bis(trifluoromethylsulfonyl)azanide;1-methyl-3-tetradecyl-imidazol-1-ium IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 bis(trifluoromethylsulfonyl)azanide;1-methyl-3-tetradecylimidazol-1-ium IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 bis(trifluoromethylsulfonyl)azanide;1-methyl-3-tetradecylimidazol-1-ium IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 bis(trifluoromethylsulfonyl)azanide;1-methyl-3-tetradecylimidazol-1-ium IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 bis(trifluoromethylsulfonyl)azanide;1-methyl-3-tetradecyl-imidazol-1-ium IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 ditriflylazanide;1-methyl-3-myristyl-imidazol-1-ium InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C18H35N2.C2F6NO4S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-17-16-19(2)18-20;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h16-18H,3-15H2,1-2H3;/q+1;-1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 AEZLAQZYZLLTIV-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 559.19731793 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C20H35F6N3O4S2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 559.6 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCCCCCCCCCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCCCCCCCCCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 94.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 559.19731793 35 0 0 0 0 0 0 0 2 -1