522265 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 17 8 7 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -1 3 1 1 2 2 3 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 3 8 22 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 7 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 2 5.5926 2.9945 3.8606 2.5878 2.7866 3.7377 4.7266 4.2591 3.462 2.0214 2.3356 3.1542 3.3931 2.6577 2.1802 3.3228 4.1984 4.1525 4.328 5.1251 6.1295 0.0722 0.4677 -0.0323 0.4677 -0.9458 0.9458 -0.7014 -0.0323 0.9426 0.9426 -0.6937 -1.5122 -1.198 1.0748 1.5523 0.8169 -1.1622 -1.1163 -0.2407 -0.5072 -0.5072 0.1577 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 50.9 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0622000040000000000000000000000000000000000000000000000000000000000001E00000800000000E180060200030002000000000000000000000000000000000800000210000000000000000000001000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-hydroxyethyl(trimethyl)ammonium;chloride IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-hydroxyethyl(trimethyl)ammonium;chloride IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-hydroxyethyl(trimethyl)azanium;chloride IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-hydroxyethyl(trimethyl)azanium;chloride IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-hydroxyethyl(trimethyl)azanium;chloride IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-hydroxyethyl(trimethyl)ammonium;chloride InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C5H14NO.ClH/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H/q+1;/p-1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 SGMZJAMFUVOLNK-UHFFFAOYSA-M Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 139.0763918 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C5H14ClNO Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 139.62 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C[N+](C)(C)CCO.[Cl-] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C[N+](C)(C)CCO.[Cl-] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 20.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 139.0763918 8 0 0 0 0 0 0 0 2 -1