60196375 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 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 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 30 30 30 31 32 32 33 33 33 34 35 35 35 9 10 15 36 11 12 15 37 36 36 36 37 37 37 29 31 32 31 34 35 17 18 38 39 19 40 41 20 42 43 21 44 45 22 46 47 23 48 49 24 50 51 25 52 53 26 54 55 27 56 57 29 58 59 28 60 61 30 62 63 64 65 33 66 67 68 34 69 70 71 72 73 74 75 76 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 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 14.5186 12.7866 16.2507 14.8846 15.8846 11.0545 11.4205 12.4205 14.0186 15.0186 12.2866 13.2866 7.4651 7.9651 13.6526 4.8671 4.001 4.8671 4.001 5.7331 3.135 5.7331 3.135 6.5991 2.269 6.5991 2.269 1.403 7.4651 1.403 8.2742 6.6561 0.5369 6.9651 8.5529 15.3846 11.9205 5.0791 5.4776 3.789 3.3905 4.655 4.2565 4.2131 4.6116 5.9451 6.3437 2.923 2.5244 5.521 5.1225 3.3471 3.7456 6.8112 7.2097 2.0569 1.6584 6.3871 5.9885 2.481 2.8796 1.1909 0.7924 7.6772 8.0757 1.615 2.0135 8.8638 6.0665 0.2269 0 0.8469 6.6007 9.0545 8.9174 8.0513 7.4432 7.4432 8.4432 8.8092 7.0772 8.4432 7.0772 8.8092 8.3092 6.5772 6.5772 8.3092 12.5369 14.0758 6.9432 7.0369 6.5369 8.0369 5.5369 8.5369 5.0369 9.5369 4.0369 10.0369 3.5369 11.0369 2.5369 2.0369 11.5369 1.0369 13.1247 13.1247 0.5369 14.0758 14.8848 7.9432 7.9432 6.4543 7.1446 7.1195 6.4293 8.6195 7.9293 4.9543 5.6446 7.9543 8.6446 5.6195 4.9293 10.1195 9.4293 3.4543 4.1446 9.4543 10.1446 4.1195 3.4293 11.6195 10.9293 1.9543 2.6446 2.6196 1.9293 10.9543 11.6446 0.4543 1.1446 12.9331 12.9331 1.0739 0.2269 0 14.5774 14.5204 15.3864 15.2492 8 8 8 8 8 13 13 14 14 32 31 32 31 34 34 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 604 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 11 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 17 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371F07B39C0600000000000000000000000000160000000000000000000000000018000001D04004000000800C102142F90170C1002A0001027647000802D1112A00940001830008048020088001400000800028000211080800000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 bis(trifluoromethylsulfonyl)azanide;1-hexadecyl-3-methyl-imidazol-3-ium IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 bis(trifluoromethylsulfonyl)azanide;1-hexadecyl-3-methylimidazol-3-ium IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 bis(trifluoromethylsulfonyl)azanide;1-hexadecyl-3-methylimidazol-3-ium IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 bis(trifluoromethylsulfonyl)azanide;1-hexadecyl-3-methylimidazol-3-ium IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 bis(trifluoromethylsulfonyl)azanide;1-hexadecyl-3-methyl-imidazol-3-ium IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-cetyl-3-methyl-imidazol-3-ium;ditriflylazanide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C20H39N2.C2F6NO4S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-19-18-21(2)20-22;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h18-20H,3-17H2,1-2H3;/q+1;-1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 IEKPEVWFUIKZFI-UHFFFAOYSA-N Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 587.22861805 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C22H39F6N3O4S2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 587.7 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCCCCCCCCCCCCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCCCCCCCCCCCCCCN1C=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 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 94.8 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 587.22861805 37 0 0 0 0 0 0 0 2 1