11444093 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 16 16 9 9 9 9 9 9 8 8 8 8 7 7 7 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 13 1 17 -1 1 1 1 1 2 2 2 2 3 4 5 6 7 8 13 13 13 14 14 14 15 15 15 16 16 18 20 20 20 21 21 21 22 22 23 24 24 24 25 25 25 26 26 26 27 27 28 28 28 29 30 30 30 31 31 31 32 32 32 9 10 17 33 11 12 17 34 33 33 33 34 34 34 18 20 22 18 21 23 19 26 27 19 29 19 24 35 36 25 37 38 23 39 40 30 41 42 31 43 44 28 45 46 29 47 32 48 49 50 51 52 53 54 55 56 57 58 59 2 2 1 1 2 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 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 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 3.6366 1.9046 5.3686 4.0026 5.0026 0.1725 0.5385 1.5385 3.1366 4.1366 1.4046 2.4046 1.486 1.986 4.0551 3.5551 2.7706 2.295 3.2461 1.486 2.5738 0.677 0.986 0.62 2.1671 4.0551 4.8641 4.9211 4.5551 0.62 2.7549 4.9211 4.5026 1.0385 1.6981 2.0966 3.0045 3.0878 0.0874 0.6216 0.4079 0.0094 1.7364 1.6531 3.8431 3.4445 5.4538 5.1332 5.5317 4.9195 0 0.62 1.24 3.2564 3.1193 2.2533 5.5411 4.9211 4.3011 0.866 0.866 1.866 2.232 0.5 1.866 0.5 2.232 1.732 0 0 1.732 7.352 8.8909 8.2186 6.6798 0.366 7.9398 7.6308 6.352 9.6999 7.9398 8.8909 5.852 10.6135 9.2186 7.6308 9.7186 6.6798 4.852 11.4225 10.7186 1.366 1.366 5.7694 6.4597 9.2539 10.0466 7.7482 9.3925 6.4347 5.7444 11.0594 10.2668 9.8012 9.1109 7.8224 9.136 9.8263 6.1782 4.852 4.232 4.852 11.058 11.9241 11.7869 10.7186 11.3386 10.7186 8 8 8 8 8 8 8 8 8 8 13 13 14 14 15 15 16 16 22 27 18 22 18 23 19 27 19 29 23 29 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 618 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 12 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 9 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07BB9C0600000000000000000000000000162C0000000000000000000000001E000001D04004000000800C103142F90170C1002A0001227647000802D1112A00940001830008048000008001400000800028000200000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 bis(trifluoromethylsulfonyl)azanide;1,3-dipropyl-2-(1-propylimidazol-2-yl)imidazol-1-ium IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 bis(trifluoromethylsulfonyl)azanide;1,3-dipropyl-2-(1-propyl-2-imidazolyl)imidazol-1-ium IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 bis(trifluoromethylsulfonyl)azanide;1,3-dipropyl-2-(1-propylimidazol-2-yl)imidazol-1-ium IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 bis(trifluoromethylsulfonyl)azanide;1,3-dipropyl-2-(1-propylimidazol-2-yl)imidazol-1-ium IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 bis(trifluoromethylsulfonyl)azanide;1,3-dipropyl-2-(1-propylimidazol-2-yl)imidazol-1-ium IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 1,3-dipropyl-2-(1-propylimidazol-2-yl)imidazol-1-ium;ditriflylazanide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C15H25N4.C2F6NO4S2/c1-4-8-17-11-7-16-14(17)15-18(9-5-2)12-13-19(15)10-6-3;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h7,11-13H,4-6,8-10H2,1-3H3;/q+1;-1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 MWCLECKKUUOOCL-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 541.12521562 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C17H25F6N5O4S2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 541.5 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCCN1C=CN=C1C2=[N+](C=CN2CCC)CCC.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 CCCN1C=CN=C1C2=[N+](C=CN2CCC)CCC.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 2019.06.18 113 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 541.12521562 34 0 0 0 0 0 0 0 2 -1