46226173 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 9 9 9 9 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 5 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 6 1 23 -1 1 2 3 4 5 5 5 6 6 6 7 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 16 16 16 17 17 17 18 19 19 20 20 20 21 22 22 22 23 23 23 23 15 18 19 18 21 22 8 9 24 25 10 26 27 11 28 29 12 30 31 13 32 33 14 34 35 15 36 37 16 38 39 40 41 17 42 43 20 44 45 46 21 47 48 49 50 51 52 53 54 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 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 47 48 49 50 51 52 53 54 11.0545 9.3225 9.6885 10.6885 5.7331 6.2331 4.001 3.135 4.001 3.135 4.8671 2.269 4.8671 2.269 5.7331 1.403 1.403 6.5421 4.9241 0.5369 5.2331 6.8209 10.1885 4.2131 4.6116 2.923 2.5244 3.789 3.3905 3.3471 3.7456 5.0791 5.4776 2.0569 1.6584 4.655 4.2565 2.481 2.8796 5.9451 6.3437 1.1909 0.7924 1.615 2.0135 7.1318 4.3344 0.2269 0 0.8469 4.8687 7.3225 7.1853 6.3193 6.6932 5.6932 7.0592 5.3272 9.5369 11.0758 5.5369 5.0369 6.5369 4.0369 7.0369 3.5369 8.0369 2.5369 8.5369 2.0369 1.0369 10.1247 10.1247 0.5369 11.0758 11.8848 6.1932 4.9543 5.6446 5.6195 4.9293 7.1195 6.4293 3.4543 4.1446 6.4543 7.1446 4.1195 3.4293 8.6195 7.9293 1.9543 2.6446 7.9543 8.6446 2.6196 1.9293 0.4543 1.1446 9.9331 9.9331 1.0739 0.2269 0 11.5774 11.5204 12.3864 12.2492 8 8 8 8 8 5 5 6 6 19 18 19 18 21 21 0 Compound Canonicalized 5 2010.05.05 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 201 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 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 11 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E27B01C0000000000000000000000000000160000000000000000000000000018000041C00000000000800C102042F90170C1000A0001027640000802D1112A00940001830008048020088001400000800028000211080800000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 1-dodecyl-3-methyl-imidazol-3-ium;tetrafluoroborate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 1-dodecyl-3-methylimidazol-3-ium;tetrafluoroborate IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 1-dodecyl-3-methylimidazol-3-ium;tetrafluoroborate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 1-dodecyl-3-methylimidazol-3-ium;tetrafluoroborate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 1-dodecyl-3-methyl-imidazol-3-ium;tetrafluoroborate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 1-lauryl-3-methyl-imidazol-3-ium;tetrafluoroborate InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C16H31N2.BF4/c1-3-4-5-6-7-8-9-10-11-12-13-18-15-14-17(2)16-18;2-1(3,4)5/h14-16H,3-13H2,1-2H3;/q+1;-1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 DXBLSHGDRZIBJZ-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 338.2516418 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C16H31BF4N2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 338.2 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 [B-](F)(F)(F)F.CCCCCCCCCCCCN1C=C[N+](=C1)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 [B-](F)(F)(F)F.CCCCCCCCCCCCN1C=C[N+](=C1)C Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 8.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 338.2516418 23 0 0 0 0 0 0 0 2 -1