78738 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 17 8 8 7 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 4 1 2 2 3 4 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 10 11 11 12 12 12 13 13 9 10 10 5 6 7 8 9 14 15 16 17 18 19 20 21 22 23 24 25 26 11 12 13 27 28 29 30 31 1 1 2 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 3.318 4.001 4.8671 1.403 2.269 0.5369 0.903 1.903 3.135 4.8671 5.7331 6.5991 5.7331 2.6675 1.8705 0.2269 0 0.8469 1.4399 0.593 0.366 1.366 2.213 2.4399 2.7365 3.5335 6.2891 7.136 6.9091 6.27 5.1962 0 4.403 2.903 3.903 4.403 3.403 4.769 3.0369 3.903 3.903 4.403 3.903 5.403 4.8779 4.8779 3.9399 3.093 2.866 5.079 5.3059 4.459 2.7269 2.5 3.3469 3.428 3.428 3.366 3.593 4.4399 5.713 5.713 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.408 Cactvs xemistry.com 2012.11.26 180 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.408 Cactvs xemistry.com 2012.11.26 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.408 Cactvs xemistry.com 2012.11.26 0 Count Rotatable Bond 5 E_NROTBONDS 3.408 Cactvs xemistry.com 2012.11.26 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.408 Cactvs xemistry.com 2012.11.26 00000371E0723000040000000000000000000000000000000000000000000000000000000000001E00000000000C00E18006020803000400880200D208000000000000000000010800400204000021000300000000001020800000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.2.0 LexiChem openeye.com 2012.11.26 trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]ammonium;chloride IUPAC Name CAS-like Style 1 2.2.0 LexiChem openeye.com 2012.11.26 trimethyl-[2-(2-methyl-1-oxoprop-2-enoxy)ethyl]ammonium;chloride IUPAC Name Preferred 1 2.2.0 LexiChem openeye.com 2012.11.26 trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;chloride IUPAC Name Systematic 1 2.2.0 LexiChem openeye.com 2012.11.26 trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;chloride IUPAC Name Traditional 1 2.2.0 LexiChem openeye.com 2012.11.26 2-methacryloyloxyethyl(trimethyl)ammonium;chloride InChI Standard 1 1.0.4 InChI iupac.org 2012.11.26 InChI=1S/C9H18NO2.ClH/c1-8(2)9(11)12-7-6-10(3,4)5;/h1,6-7H2,2-5H3;1H/q+1;/p-1 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.11.26 RRHXZLALVWBDKH-UHFFFAOYSA-M Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 207.102607 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 C9H18ClNO2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 207.69772 SMILES Canonical 1 1.9.0 OEChem openeye.com 2012.11.26 CC(=C)C(=O)OCC[N+](C)(C)C.[Cl-] SMILES Isomeric 1 1.9.0 OEChem openeye.com 2012.11.26 CC(=C)C(=O)OCC[N+](C)(C)C.[Cl-] Topological Polar Surface Area 7 E_TPSA 3.408 Cactvs xemistry.com 2012.11.26 26.3 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 207.102607 13 0 0 0 0 0 0 0 2 1