53316407 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 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 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 25 25 25 26 26 26 27 28 28 29 29 29 30 31 31 31 9 10 15 32 11 12 15 33 32 32 32 33 33 33 24 27 28 27 30 31 17 18 34 35 19 36 37 20 38 39 21 40 41 22 42 43 23 44 45 24 46 47 25 48 49 50 51 26 52 53 29 54 55 56 30 57 58 59 60 61 62 63 64 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 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 12.7866 11.0545 14.5186 13.1526 14.1526 9.3225 9.6885 10.6885 12.2866 13.2866 10.5545 11.5545 5.7331 6.2331 11.9205 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 13.6526 10.1885 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 5.9432 6.9432 7.3092 5.5772 6.9432 5.5772 7.3092 6.8092 5.0772 5.0772 6.8092 9.5369 11.0758 5.4432 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 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 13 13 14 14 28 27 28 27 30 30 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 556 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 13 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B39C0600000000000000000000000000160000000000000000000000000018000001D04004000000800C102142F90170C1002A0001027647000802D1112A00940001830008048020088001400000800028000211080800000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 bis(trifluoromethylsulfonyl)azanide;1-dodecyl-3-methyl-imidazol-3-ium IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 bis(trifluoromethylsulfonyl)azanide;1-dodecyl-3-methylimidazol-3-ium IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 bis(trifluoromethylsulfonyl)azanide;1-dodecyl-3-methylimidazol-3-ium IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 bis(trifluoromethylsulfonyl)azanide;1-dodecyl-3-methylimidazol-3-ium IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 bis(trifluoromethylsulfonyl)azanide;1-dodecyl-3-methyl-imidazol-3-ium IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 ditriflylazanide;1-lauryl-3-methyl-imidazol-3-ium InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C16H31N2.C2F6NO4S2/c1-3-4-5-6-7-8-9-10-11-12-13-18-15-14-17(2)16-18;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h14-16H,3-13H2,1-2H3;/q+1;-1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 RJCNRVFKCLDBEC-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 531.16601780 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C18H31F6N3O4S2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 531.6 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCCCCCCCCCN1C=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 CCCCCCCCCCCCN1C=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 2021.05.07 531.16601780 33 0 0 0 0 0 0 0 2 -1