12040509 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 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 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 23 23 23 24 24 24 25 26 26 27 27 27 28 29 29 29 9 10 15 30 11 12 15 31 30 30 30 31 31 31 22 25 26 25 28 29 17 18 32 33 19 34 35 20 36 37 21 38 39 22 40 41 23 42 43 44 45 24 46 47 27 48 49 50 28 51 52 53 54 55 56 57 58 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 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 11.9205 10.1885 13.6526 12.2866 13.2866 8.4564 8.8225 9.8225 11.4205 12.4205 9.6885 10.6885 4.8671 5.3671 11.0545 3.135 3.135 4.001 2.269 4.001 2.269 4.8671 1.403 1.403 5.6761 4.058 0.5369 4.3671 5.9549 12.7866 9.3225 2.923 2.5244 3.3471 3.7456 4.2131 4.6116 2.0569 1.6584 3.789 3.3905 2.481 2.8796 5.0791 5.4776 1.1909 0.7924 1.615 2.0135 6.2657 3.4684 0.2269 0 0.8469 4.0026 6.4564 6.3193 5.4533 5.1932 5.1932 6.1932 6.5592 4.8272 6.1932 4.8272 6.5592 6.0592 4.3272 4.3272 6.0592 8.0369 9.5758 4.6932 5.0369 4.0369 5.5369 3.5369 6.5369 2.5369 7.0369 2.0369 1.0369 8.6247 8.6247 0.5369 9.5758 10.3848 5.6932 5.6932 5.6195 4.9293 3.4543 4.1446 4.9543 5.6446 4.1195 3.4293 7.1195 6.4293 1.9543 2.6446 6.4543 7.1446 2.6195 1.9293 0.4543 1.1446 8.4331 8.4331 1.0739 0.2269 0 10.0774 10.0204 10.8864 10.7492 8 8 8 8 8 13 13 14 14 26 25 26 25 28 28 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 533 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 11 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-decyl-3-methyl-imidazol-3-ium IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 bis(trifluoromethylsulfonyl)azanide;1-decyl-3-methylimidazol-3-ium IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 bis(trifluoromethylsulfonyl)azanide;1-decyl-3-methylimidazol-3-ium IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 bis(trifluoromethylsulfonyl)azanide;1-decyl-3-methylimidazol-3-ium IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 bis(trifluoromethylsulfonyl)azanide;1-decyl-3-methyl-imidazol-3-ium IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 1-decyl-3-methyl-imidazol-3-ium;ditriflylazanide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C14H27N2.C2F6NO4S2/c1-3-4-5-6-7-8-9-10-11-16-13-12-15(2)14-16;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h12-14H,3-11H2,1-2H3;/q+1;-1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 ZYVGZWFCGPUVSH-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 503.13471767 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C16H27F6N3O4S2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 503.5 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCCCCCCCN1C=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 CCCCCCCCCCN1C=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 2021.05.07 503.13471767 31 0 0 0 0 0 0 0 2 -1