46191760 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 71 72 73 74 75 76 77 78 79 80 81 82 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 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 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 26 27 27 27 28 28 28 29 29 29 30 30 30 31 31 32 32 32 33 34 34 35 35 35 36 37 37 37 9 10 15 38 11 12 15 39 38 38 38 39 39 39 31 33 34 33 36 37 17 18 40 41 19 42 43 20 44 45 21 46 47 22 48 49 23 50 51 24 52 53 25 54 55 26 56 57 27 58 59 29 60 61 28 62 63 30 64 65 31 66 67 32 68 69 70 71 35 72 73 74 36 75 76 77 78 79 80 81 82 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 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 71 72 73 74 75 76 77 78 79 80 81 82 15.3846 13.6526 17.1167 15.7507 16.7507 11.9205 12.2866 13.2866 14.8846 15.8846 13.1526 14.1526 8.3312 8.8312 14.5186 4.8671 4.8671 5.7331 4.001 5.7331 4.001 6.5991 3.135 6.5991 3.135 7.4651 2.269 2.269 7.4651 1.403 8.3312 1.403 9.1402 7.5222 0.5369 7.8312 9.419 16.2507 12.7866 4.655 4.2565 5.0791 5.4776 5.9451 6.3437 3.789 3.3905 5.521 5.1225 4.2131 4.6116 6.8112 7.2097 2.923 2.5244 6.3871 5.9885 3.3471 3.7456 7.6772 8.0757 2.0569 1.6584 2.481 2.8796 7.2531 6.8546 1.1909 0.7924 8.5432 8.9417 1.615 2.0135 9.7298 6.9325 0.2269 0 0.8469 7.4667 9.9205 9.7834 8.9174 8.1932 8.1932 9.1932 9.5592 7.8272 9.1932 7.8272 9.5592 9.0592 7.3272 7.3272 9.0592 14.0369 15.5758 7.6932 8.0369 7.0369 8.5369 6.5369 9.5369 5.5369 10.0369 5.0369 11.0369 4.0369 11.5369 3.5369 2.5369 12.5369 2.0369 13.0369 1.0369 14.6247 14.6247 0.5369 15.5758 16.3848 8.6932 8.6932 8.6195 7.9293 6.4543 7.1446 7.9543 8.6446 7.1195 6.4293 10.1195 9.4293 4.9543 5.6446 9.4543 10.1446 5.6195 4.9293 11.6195 10.9293 3.4543 4.1446 10.9543 11.6446 4.1195 3.4293 1.9543 2.6446 13.1195 12.4293 2.6196 1.9293 12.4543 13.1446 0.4543 1.1446 14.4331 14.4331 1.0739 0.2269 0 16.0774 16.0204 16.8864 16.7492 8 8 8 8 8 13 13 14 14 34 33 34 33 36 36 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 628 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 19 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-octadecyl-imidazol-1-ium IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 bis(trifluoromethylsulfonyl)azanide;1-methyl-3-octadecylimidazol-1-ium IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 bis(trifluoromethylsulfonyl)azanide;1-methyl-3-octadecylimidazol-1-ium IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 bis(trifluoromethylsulfonyl)azanide;1-methyl-3-octadecylimidazol-1-ium IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 bis(trifluoromethylsulfonyl)azanide;1-methyl-3-octadecyl-imidazol-1-ium IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 ditriflylazanide;1-methyl-3-stearyl-imidazol-1-ium InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C22H43N2.C2F6NO4S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-21-20-23(2)22-24;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h20-22H,3-19H2,1-2H3;/q+1;-1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 DMEDSJKEUMLSKF-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 615.25991818 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C24H43F6N3O4S2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 615.7 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCCCCCCCCCCCCCCCN1C=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 CCCCCCCCCCCCCCCCCCN1C=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 2021.05.07 615.25991818 39 0 0 0 0 0 0 0 2 -1