49840002 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 16 15 9 9 9 8 8 8 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 1 1 1 1 1 1 1 1 1 6 -1 12 1 1 1 1 1 2 2 2 3 4 5 9 9 10 10 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 26 26 27 28 28 28 6 7 8 29 9 10 11 29 29 29 13 14 15 16 25 26 25 27 28 17 18 30 19 20 31 21 22 32 23 24 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 27 59 60 61 62 63 1 2 2 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 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 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 2.702 3.135 4.434 4.068 3.068 1.836 2.202 3.202 2.269 4.001 3.135 3.635 2.269 1.403 4.001 4.8671 1.403 2.269 0.5369 1.403 4.8671 4.001 5.7331 4.8671 3.944 2.326 2.635 4.2228 3.568 2.889 1.9399 3.381 4.8671 1.713 0.866 1.093 2.889 2.269 1.649 0.8469 0 0.2269 0.783 1.403 2.023 5.1771 5.404 4.5571 4.621 4.001 3.381 6.0431 6.27 5.4231 4.2471 4.8671 5.4871 4.5337 1.7363 2.2706 3.7212 4.5872 4.7244 0.866 8.0815 1.866 0.5 2.232 0.366 1.732 0 8.5815 8.5815 7.0815 5.5427 9.5815 8.0815 9.5815 8.0815 10.0815 10.5815 8.5815 7.0815 10.0815 10.5815 8.5815 7.0815 6.4937 6.4937 5.5427 4.7336 1.366 9.5815 7.7715 9.5815 8.7015 10.6184 10.3915 9.5446 10.5815 11.2015 10.5815 9.1184 8.8915 8.0446 7.0815 6.4615 7.0815 9.5446 10.3915 10.6184 10.5815 11.2015 10.5815 8.0446 8.8915 9.1184 7.0815 6.4615 7.0815 6.6853 6.6853 5.0411 4.3692 4.232 5.0981 8 8 8 8 8 11 11 12 12 26 25 26 25 27 27 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 415 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 8 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 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371F07BB182400000000000000000000000000160000000000000000000000000018000001D04008000000828C102142F90170C1002A0001027647000802D1112A00940001830008048000008001000000800028000200000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[(diisopropylamino)-(3-methylimidazol-3-ium-1-yl)phosphanyl]-N-isopropyl-propan-2-amine;trifluoromethanesulfonate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[[di(propan-2-yl)amino]-(3-methyl-1-imidazol-3-iumyl)phosphino]-N-propan-2-yl-2-propanamine;trifluoromethanesulfonate IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-[[di(propan-2-yl)amino]-(3-methylimidazol-3-ium-1-yl)phosphanyl]-<I>N</I>-propan-2-ylpropan-2-amine;trifluoromethanesulfonate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[[di(propan-2-yl)amino]-(3-methylimidazol-3-ium-1-yl)phosphanyl]-N-propan-2-ylpropan-2-amine;trifluoromethanesulfonate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[[di(propan-2-yl)amino]-(3-methylimidazol-3-ium-1-yl)phosphanyl]-N-propan-2-yl-propan-2-amine;tris(fluoranyl)methanesulfonate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 [(diisopropylamino)-(3-methylimidazol-3-ium-1-yl)phosphino]-diisopropyl-amine;triflate InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C16H34N4P.CHF3O3S/c1-13(2)19(14(3)4)21(18-11-10-17(9)12-18)20(15(5)6)16(7)8;2-1(3,4)8(5,6)7/h10-16H,1-9H3;(H,5,6,7)/q+1;/p-1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 PFWBSBVEOFDRLS-UHFFFAOYSA-M Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 462.20413362 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C17H34F3N4O3PS Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 462.5 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(C)N(C(C)C)P(N1C=C[N+](=C1)C)N(C(C)C)C(C)C.C(F)(F)(F)S(=O)(=O)[O-] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC(C)N(C(C)C)P(N1C=C[N+](=C1)C)N(C(C)C)C(C)C.C(F)(F)(F)S(=O)(=O)[O-] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 80.9 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 462.20413362 29 0 0 0 0 0 0 0 2 -1