53316406 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 15 8 8 8 8 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 1 1 1 1 1 1 1 4 -1 7 1 1 1 1 1 2 3 6 6 6 7 7 7 8 8 8 9 10 10 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 2 3 4 5 14 15 8 9 10 9 11 13 12 18 19 20 11 21 22 23 24 25 26 27 28 16 29 30 17 31 32 33 34 35 36 37 38 1 1 1 2 1 1 1 1 1 2 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 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 3.135 4.001 2.269 2.635 3.635 3.0418 3.5418 3.0418 3.8508 2.2328 2.5418 2.1758 4.1296 4.8671 1.403 5.7331 0.5369 3.2539 3.6524 4.4405 1.6431 2.1774 1.8658 1.6388 2.4858 4.6312 4.494 3.628 4.4685 5.2656 1.8015 1.0044 6.0431 6.27 5.4231 0.2269 0 0.8469 1.0369 1.5369 0.5369 1.903 0.1709 6.1108 7.6496 5.1108 6.6986 6.6986 7.6496 4.6108 8.4587 1.0369 1.0369 1.5369 0.5369 4.5282 5.2185 6.507 6.507 8.1512 5.1477 4.3008 4.0739 8.0942 8.9603 8.8231 0.562 0.562 1.5119 1.5119 1 1.8469 2.0739 1.0739 0.2269 0 8 8 8 8 8 6 6 7 7 10 9 10 9 11 11 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 168 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E0733802000000000000000000000000000160000000000000000000000000018000001E00000020000000E182062F90170C1110A0401027648000802D1112A00940001830008048000008001000000800028000200000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 diethyl phosphate;1-ethyl-3-methyl-imidazol-3-ium IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 diethyl phosphate;1-ethyl-3-methylimidazol-3-ium IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 diethyl phosphate;1-ethyl-3-methylimidazol-3-ium IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 diethyl phosphate;1-ethyl-3-methylimidazol-3-ium IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 diethyl phosphate;1-ethyl-3-methyl-imidazol-3-ium IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 diethyl phosphate;1-ethyl-3-methyl-imidazol-3-ium InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C6H11N2.C4H11O4P/c1-3-8-5-4-7(2)6-8;1-3-7-9(5,6)8-4-2/h4-6H,3H2,1-2H3;3-4H2,1-2H3,(H,5,6)/q+1;/p-1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 HQWOEDCLDNFWEV-UHFFFAOYSA-M Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 264.12389415 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C10H21N2O4P Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 264.26 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCN1C=C[N+](=C1)C.CCOP(=O)([O-])OCC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCN1C=C[N+](=C1)C.CCOP(=O)([O-])OCC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 67.4 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 264.12389415 17 0 0 0 0 0 0 0 2 -1