11468507 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 16 16 16 16 9 9 9 9 9 9 9 9 9 9 9 9 8 8 8 8 8 8 8 8 7 7 7 7 7 7 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 25 1 26 1 29 -1 30 -1 1 1 1 1 2 2 2 2 3 3 3 3 4 4 4 4 5 6 7 8 9 10 11 12 13 14 15 16 25 25 25 26 26 26 27 27 27 28 28 28 31 31 32 32 32 33 33 33 34 35 36 36 36 37 37 37 38 38 39 39 40 41 42 42 42 43 43 43 44 44 44 45 45 45 17 18 29 46 19 20 29 47 21 22 30 48 23 24 30 49 46 46 46 47 47 47 48 48 48 49 49 49 31 34 38 31 35 39 32 34 40 33 35 41 50 51 36 52 53 37 54 55 56 57 42 58 59 43 60 61 40 62 41 63 64 65 44 66 67 45 68 69 70 71 72 73 74 75 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 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 2 1 2 1 1 1 1 1 1 1 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 1.732 3.4641 12.011 10.279 0 0.366 1.366 5.1962 3.8301 4.8301 13.7431 12.3771 13.3771 8.547 8.913 9.913 1.232 2.232 2.9641 3.9641 11.511 12.511 9.779 10.779 13.3111 12.445 13.8111 10.8624 2.5981 11.145 13.3111 14.3988 9.8678 14.1201 11.5315 13.9921 9.28 12.502 12.3405 12.8111 11.3624 14.5799 8.2855 14.1732 7.6977 0.866 4.3301 12.8771 9.413 13.5231 13.9216 14.8295 14.9128 10.0387 9.3106 14.7097 11.4026 13.5614 13.4781 9.1092 9.8373 11.9124 12.8013 12.4466 11.1102 15.0106 15.0939 8.4564 7.7283 14.7396 13.921 13.6068 7.1962 7.3333 8.1993 6.5147 6.5147 0.866 0.866 7.5147 6.1487 7.8807 7.5147 7.8807 6.1487 1.866 2.232 0.5 1.866 0.5 2.232 5.6487 7.3807 7.3807 5.6487 1.732 0 0 1.732 7.979 6.479 9.5179 6.1426 6.0147 0.366 6.979 10.3269 6.2472 8.5668 6.8858 11.2404 5.4381 8.5668 5.4845 9.5179 5.2766 12.0494 5.5427 12.963 4.7336 7.0147 7.0147 1.366 1.366 6.3964 7.0867 9.8809 10.6736 6.8431 6.5189 8.3752 7.4922 11.6864 10.8937 4.8422 5.1663 8.3752 5.0696 10.0195 4.7102 11.6035 12.3961 6.1386 5.8144 13.2152 13.5294 12.7108 5.0981 4.232 4.3692 8 8 8 8 8 8 8 8 8 8 25 25 26 26 27 27 28 28 38 39 34 38 35 39 34 40 35 41 40 41 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 596 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 22 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 12 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07BBDC0700000000000000000000000000162C0000000000000000000000001E000001D04004000000800C102142F90170C1002A0001027647000802D1112A00940001830008048000088001400000800028000200000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 bis(trifluoromethylsulfonyl)azanide;1-butyl-3-[(3-butylimidazol-1-ium-1-yl)methyl]imidazol-3-ium IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 bis(trifluoromethylsulfonyl)azanide;1-butyl-3-[(3-butyl-1-imidazol-1-iumyl)methyl]imidazol-3-ium IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 bis(trifluoromethylsulfonyl)azanide;1-butyl-3-[(3-butylimidazol-1-ium-1-yl)methyl]imidazol-3-ium IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 bis(trifluoromethylsulfonyl)azanide;1-butyl-3-[(3-butylimidazol-1-ium-1-yl)methyl]imidazol-3-ium IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 bis(trifluoromethylsulfonyl)azanide;1-butyl-3-[(3-butylimidazol-1-ium-1-yl)methyl]imidazol-3-ium IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 1-butyl-3-[(3-butylimidazol-1-ium-1-yl)methyl]imidazol-3-ium;ditriflylazanide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C15H26N4.2C2F6NO4S2/c1-3-5-7-16-9-11-18(13-16)15-19-12-10-17(14-19)8-6-4-2;2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h9-14H,3-8,15H2,1-2H3;;/q+2;2*-1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 ZEKAXCJNOQZANX-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 822.0503344 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C19H26F12N6O8S4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 822.7 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCN1C=C[N+](=C1)C[N+]2=CN(C=C2)CCCC.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.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 CCCCN1C=C[N+](=C1)C[N+]2=CN(C=C2)CCCC.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.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 2019.06.18 190 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 822.0503344 49 0 0 0 0 0 0 0 3 -1