11490147 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 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 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 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 19 19 19 20 20 20 22 22 23 24 24 24 25 25 25 26 26 26 27 27 27 28 28 28 29 29 29 30 30 31 31 31 32 33 33 33 34 34 34 35 35 35 9 10 17 36 11 12 17 37 36 36 36 37 37 37 18 19 22 18 20 23 21 26 30 21 32 21 24 38 39 25 40 41 23 42 43 28 44 45 29 46 47 27 48 49 31 50 51 33 52 53 34 54 55 32 56 35 57 58 59 60 61 62 63 64 65 66 67 68 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 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 60 61 62 63 64 65 66 67 68 4.4196 2.6875 6.1516 4.7856 5.7856 0.9555 1.3215 2.3215 3.9196 4.9196 2.1875 3.1875 2.269 2.769 4.8381 4.3381 3.5535 3.078 2.269 3.3568 4.0291 1.46 1.769 1.403 2.95 4.8381 5.7041 1.403 3.5378 5.6471 5.7041 5.3381 0.5369 3.1311 6.5701 5.2856 1.8215 2.481 2.8796 3.7875 3.8708 0.8703 1.4046 1.1909 0.7924 2.5194 2.436 4.626 4.2275 5.9162 6.3147 1.615 2.0135 3.9685 4.0518 6.2368 5.492 5.0935 5.7025 0.2269 0 0.8469 3.6975 2.8789 2.5647 6.8801 7.1071 6.2601 0.866 0.866 1.866 2.232 0.5 1.866 0.5 2.232 1.732 0 0 1.732 7.769 9.3078 8.6355 7.0967 0.366 8.3568 6.769 10.1168 8.0478 8.3568 9.3078 6.269 11.0304 9.6355 10.1355 5.269 11.8394 8.0478 11.1355 7.0967 4.769 12.753 11.6355 1.366 1.366 6.1864 6.8766 9.6708 10.4635 8.1652 9.8094 6.8516 6.1613 11.4764 10.6837 10.2182 9.5279 9.5529 10.2432 4.6864 5.3766 11.3934 12.1861 8.2394 11.7181 11.0279 6.5951 5.3059 4.459 4.232 13.0051 13.3194 12.5008 11.0986 11.9455 12.1725 8 8 8 8 8 8 8 8 8 8 13 13 14 14 15 15 16 16 22 30 18 22 18 23 21 30 21 32 23 32 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 655 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 12 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07BB9C0600000000000000000000000000162C0000000000000000000000001E000001D04004000000800C103142F90170C1002A0001227647000802D1112A00940001830008048000088001400000800028000200000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 bis(trifluoromethylsulfonyl)azanide;1,3-dibutyl-2-(1-butylimidazol-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-dibutyl-2-(1-butyl-2-imidazolyl)imidazol-1-ium IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 bis(trifluoromethylsulfonyl)azanide;1,3-dibutyl-2-(1-butylimidazol-2-yl)imidazol-1-ium IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 bis(trifluoromethylsulfonyl)azanide;1,3-dibutyl-2-(1-butylimidazol-2-yl)imidazol-1-ium IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 bis(trifluoromethylsulfonyl)azanide;1,3-dibutyl-2-(1-butylimidazol-2-yl)imidazol-1-ium IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 1,3-dibutyl-2-(1-butylimidazol-2-yl)imidazol-1-ium;ditriflylazanide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C18H31N4.C2F6NO4S2/c1-4-7-11-20-14-10-19-17(20)18-21(12-8-5-2)15-16-22(18)13-9-6-3;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h10,14-16H,4-9,11-13H2,1-3H3;/q+1;-1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 UILLYTOUWMKPEM-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 583.17216581 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C20H31F6N5O4S2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 583.6 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCN1C=CN=C1C2=[N+](C=CN2CCCC)CCCC.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=CN=C1C2=[N+](C=CN2CCCC)CCCC.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 2021.05.07 583.17216581 37 0 0 0 0 0 0 0 2 -1