23160059 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 16 9 9 9 8 8 8 7 7 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 5 -1 9 1 1 1 1 1 2 3 4 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 19 19 19 20 20 20 21 22 22 23 23 23 24 25 25 25 5 6 7 26 26 26 26 18 21 22 21 24 25 11 12 27 28 13 29 30 14 31 32 15 33 34 16 35 36 17 37 38 18 39 40 19 41 42 43 44 20 45 46 23 47 48 49 24 50 51 52 53 54 55 56 57 1 2 2 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 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 10.1885 11.9205 11.5545 10.5545 9.3225 9.6885 10.6885 5.7331 6.2331 4.001 3.135 4.001 3.135 4.8671 2.269 4.8671 2.269 5.7331 1.403 1.403 6.5421 4.9241 0.5369 5.2331 6.8209 11.0545 4.2131 4.6116 2.923 2.5244 3.789 3.3905 3.3471 3.7456 5.0791 5.4776 2.0569 1.6584 4.655 4.2565 2.481 2.8796 5.9451 6.3437 1.1909 0.7924 1.615 2.0135 7.1318 4.3344 0.2269 0 0.8469 4.8687 7.3225 7.1853 6.3193 5.9432 6.9432 5.5772 7.3092 5.4432 6.8092 5.0772 9.5369 11.0758 5.5369 5.0369 6.5369 4.0369 7.0369 3.5369 8.0369 2.5369 8.5369 2.0369 1.0369 10.1247 10.1247 0.5369 11.0758 11.8848 6.4432 4.9543 5.6446 5.6195 4.9293 7.1195 6.4293 3.4543 4.1446 6.4543 7.1446 4.1195 3.4293 8.6195 7.9293 1.9543 2.6446 7.9543 8.6446 2.6196 1.9293 0.4543 1.1446 9.9331 9.9331 1.0739 0.2269 0 11.5774 11.5204 12.3864 12.2492 8 8 8 8 8 8 8 9 9 22 21 22 21 24 24 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 327 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 11 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B3180400000000000000000000000000160000000000000000000000000018000001D04000000000800C102142F90170C1002A0001027647000802D1112A00940001830008048020088001400000800028000211080800000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-dodecyl-3-methyl-imidazol-3-ium;trifluoromethanesulfonate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-dodecyl-3-methylimidazol-3-ium;trifluoromethanesulfonate IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-dodecyl-3-methylimidazol-3-ium;trifluoromethanesulfonate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-dodecyl-3-methylimidazol-3-ium;trifluoromethanesulfonate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-dodecyl-3-methyl-imidazol-3-ium;tris(fluoranyl)methanesulfonate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-lauryl-3-methyl-imidazol-3-ium;triflate InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C16H31N2.CHF3O3S/c1-3-4-5-6-7-8-9-10-11-12-13-18-15-14-17(2)16-18;2-1(3,4)8(5,6)7/h14-16H,3-13H2,1-2H3;(H,5,6,7)/q+1;/p-1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 RSNWMNCQEJIOHL-UHFFFAOYSA-M Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 400.20074851 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C17H31F3N2O3S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 400.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCCCCCCCCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[O-] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCCCCCCCCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[O-] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 74.4 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 400.20074851 26 0 0 0 0 0 0 0 2 -1