60201110 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 16 16 9 9 9 9 9 9 8 8 8 8 8 7 7 7 7 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15 1 17 -1 1 1 1 1 2 2 2 2 3 4 5 6 7 8 9 14 14 14 15 15 15 16 16 16 18 18 18 19 19 20 21 21 22 23 23 23 24 24 24 25 10 11 17 26 12 13 17 27 26 26 26 27 27 27 25 18 20 21 20 22 23 19 24 25 19 28 29 30 31 32 22 33 34 35 36 37 38 39 40 41 2 2 1 1 2 2 1 1 1 1 1 1 1 1 2 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 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 3.4641 1.732 5.1962 3.8301 4.8301 0 0.366 1.366 1.2058 2.9641 3.9641 1.232 2.232 2.9379 3.4379 2.0719 2.5981 2.9379 2.0719 3.7469 2.1289 2.4379 4.0257 2.9379 1.2058 4.3301 0.866 3.1499 3.5485 1.8598 1.4613 4.3366 1.5392 2.0734 4.5273 4.3901 3.5241 2.6279 3.4748 3.2479 0.6689 0.866 0.866 1.866 2.232 0.5 1.866 0.5 2.232 4.232 1.732 0 0 1.732 8.232 9.7709 5.732 0.366 7.232 6.732 8.8198 8.8198 9.7709 10.5799 5.232 5.232 1.366 1.366 6.6494 7.3397 7.3147 6.6244 8.6282 8.6282 10.2725 10.2155 11.0815 10.9443 4.6951 4.922 5.769 5.542 8 8 8 8 8 14 14 15 15 21 20 21 20 22 22 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 525 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C073B9C0600000000000000000000000000160000000000000000000000000018000001F04004000000000C102162F90170C1002A8001027F47000802D1112A00940001830008048000008001000000806028000200000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 bis(trifluoromethylsulfonyl)azanide;N-methyl-N-[2-(3-methylimidazol-3-ium-1-yl)ethyl]formamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 bis(trifluoromethylsulfonyl)azanide;N-methyl-N-[2-(3-methyl-1-imidazol-3-iumyl)ethyl]formamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 bis(trifluoromethylsulfonyl)azanide;<I>N</I>-methyl-<I>N</I>-[2-(3-methylimidazol-3-ium-1-yl)ethyl]formamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 bis(trifluoromethylsulfonyl)azanide;N-methyl-N-[2-(3-methylimidazol-3-ium-1-yl)ethyl]formamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 bis(trifluoromethylsulfonyl)azanide;N-methyl-N-[2-(3-methylimidazol-3-ium-1-yl)ethyl]methanamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 ditriflylazanide;N-methyl-N-[2-(3-methylimidazol-3-ium-1-yl)ethyl]formamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C8H14N3O.C2F6NO4S2/c1-9-3-5-11(7-9)6-4-10(2)8-12;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3,5,7-8H,4,6H2,1-2H3;/q+1;-1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 XGOCIPAFBNAVCD-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 448.03098088 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C10H14F6N4O5S2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 448.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C[N+]1=CN(C=C1)CCN(C)C=O.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 C[N+]1=CN(C=C1)CCN(C)C=O.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 2019.06.18 115 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 448.03098088 27 0 0 0 0 0 0 0 2 -1