305 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 8 7 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 21 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 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 5.4641 2.866 3.732 2 2.366 3.366 4.5981 4.1306 3.3335 1.69 1.4631 2.31 2.903 2.056 1.8291 2.8291 3.676 3.903 4.1996 4.9966 6.001 0.5 0 0.5 -0.5 0.866 -0.866 0 0.9749 0.9749 0.0369 -0.81 -1.0369 1.176 1.403 0.556 -1.176 -1.403 -0.556 -0.4749 -0.4749 0.19 1 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 46.5 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 1 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 1 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C0622000000000000000000000000000000000000000000000000000000000000000001E00000800000000E180060200030002000000000000000000000000000000000800000210000000000000000000001000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 2-hydroxyethyl(trimethyl)ammonium IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 2-hydroxyethyl(trimethyl)ammonium IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 2-hydroxyethyl(trimethyl)azanium IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 2-hydroxyethyl(trimethyl)azanium IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 2-hydroxyethyl(trimethyl)ammonium InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 OEYIOHPDSNJKLS-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 -0.4 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 104.107539 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C5H14NO+ Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 104.17076 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C[N+](C)(C)CCO SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C[N+](C)(C)CCO Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 20.2 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 104.107539 7 0 0 0 0 0 0 0 1 1