1014 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 15 8 8 8 8 7 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6 1 1 1 1 1 2 3 4 6 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 2 3 4 5 11 25 26 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 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 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 3.403 4.269 2.5369 2.903 3.903 6.8671 6.001 7.7331 7.3671 6.3671 5.135 6.3996 5.6025 7.4231 8.27 8.0431 7.904 7.6771 6.8301 5.8301 6.0571 6.904 4.7365 5.5335 2 3.213 -0.2685 0.2315 -0.7685 0.5976 -1.1345 -0.2685 0.2315 -0.7685 0.5976 -1.1345 -0.2685 0.7065 0.7065 -1.3054 -1.0785 -0.2315 0.2876 1.1345 0.9076 -0.8245 -1.6714 -1.4445 -0.7434 -0.7434 -0.4585 1.1345 1 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 158 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 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0623802000000000000000000000000000000000000000000000000000000000000001E00000820000000E180060200030001100040000000800000000000000000000800000200000000000000000000001000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 trimethyl(2-phosphonooxyethyl)ammonium IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 trimethyl(2-phosphonooxyethyl)ammonium IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 trimethyl(2-phosphonooxyethyl)azanium IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 trimethyl(2-phosphonooxyethyl)azanium IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 trimethyl(2-phosphonooxyethyl)azanium IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 trimethyl(2-phosphonooxyethyl)ammonium InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p+1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 YHHSONZFOIEMCP-UHFFFAOYSA-O Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -1.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 184.07386996 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C5H15NO4P+ Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 184.15 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C[N+](C)(C)CCOP(=O)(O)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C[N+](C)(C)CCOP(=O)(O)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 66.8 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 184.07386996 11 0 0 0 0 0 0 0 1 -1