10411334 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 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 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 19 19 19 20 20 20 21 22 22 23 23 23 24 25 25 25 11 12 15 26 9 10 15 27 26 26 26 27 27 27 18 21 22 21 24 25 17 18 28 29 19 30 31 32 33 20 34 35 23 36 37 38 24 39 40 41 42 43 44 45 46 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 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 10.1885 8.4564 11.9205 10.5545 11.5545 6.7244 7.0904 8.0904 7.9564 8.9564 9.6885 10.6885 3.135 3.635 9.3225 2.269 2.269 3.135 1.403 1.403 3.944 2.326 0.5369 2.635 4.2228 11.0545 7.5904 2.0569 1.6584 2.481 2.8796 3.3471 3.7456 1.1909 0.7924 1.615 2.0135 4.5337 1.7363 0.2269 0 0.8469 2.2706 4.7244 4.5872 3.7212 3.6932 3.6932 4.6932 5.0592 3.3272 4.6932 3.3272 5.0592 2.8272 4.5592 4.5592 2.8272 5.0369 6.5758 3.1932 3.5369 2.5369 4.0369 2.0369 1.0369 5.6247 5.6247 0.5369 6.5758 7.3848 4.1932 4.1932 4.1195 3.4293 1.9543 2.6446 3.4543 4.1446 2.6195 1.9293 0.4543 1.1446 5.4331 5.4331 1.0739 0.2269 0 7.0774 7.0204 7.8864 7.7492 8 8 8 8 8 13 13 14 14 22 21 22 21 24 24 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.408 Cactvs xemistry.com 2012.11.26 488 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.408 Cactvs xemistry.com 2012.11.26 11 Count Hydrogen Bond Donor 5 E_NHDONORS 3.408 Cactvs xemistry.com 2012.11.26 0 Count Rotatable Bond 5 E_NROTBONDS 3.408 Cactvs xemistry.com 2012.11.26 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.408 Cactvs xemistry.com 2012.11.26 00000371E07339C0600000000000000000000000000160000000000000000000000000018000001D04004000000800C102142F90170C1002A0001027647000802D1112A00940001830008048020088001400000800028000211000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.2.0 LexiChem openeye.com 2012.11.26 bis(trifluoromethylsulfonyl)azanide;1-hexyl-3-methyl-imidazol-3-ium IUPAC Name CAS-like Style 1 2.2.0 LexiChem openeye.com 2012.11.26 bis(trifluoromethylsulfonyl)azanide;1-hexyl-3-methylimidazol-3-ium IUPAC Name Preferred 1 2.2.0 LexiChem openeye.com 2012.11.26 bis(trifluoromethylsulfonyl)azanide;1-hexyl-3-methylimidazol-3-ium IUPAC Name Systematic 1 2.2.0 LexiChem openeye.com 2012.11.26 bis(trifluoromethylsulfonyl)azanide;1-hexyl-3-methyl-imidazol-3-ium IUPAC Name Traditional 1 2.2.0 LexiChem openeye.com 2012.11.26 ditriflylazanide;1-hexyl-3-methyl-imidazol-3-ium InChI Standard 1 1.0.4 InChI iupac.org 2012.11.26 InChI=1S/C10H19N2.C2F6NO4S2/c1-3-4-5-6-7-12-9-8-11(2)10-12;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h8-10H,3-7H2,1-2H3;/q+1;-1 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.11.26 RCNFOZUBFOFJKZ-UHFFFAOYSA-N Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 447.072117 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 C12H19F6N3O4S2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 447.417379 SMILES Canonical 1 1.9.0 OEChem openeye.com 2012.11.26 CCCCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F SMILES Isomeric 1 1.9.0 OEChem openeye.com 2012.11.26 CCCCCCN1C=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 3.408 Cactvs xemistry.com 2012.11.26 94.8 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 447.072117 27 0 0 0 0 0 0 0 2 1