2551 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 8 8 7 7 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 2 3 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 5 6 7 8 10 24 25 9 11 12 13 14 15 16 17 18 19 20 21 22 23 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 5.4641 6.3301 2.866 7.1962 3.732 2 2.366 3.366 4.5981 6.3301 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 7.7331 7.1962 0.44 -1.06 -0.06 0.44 0.44 -0.56 0.806 -0.926 -0.06 -0.06 0.9149 0.9149 -0.0231 -0.87 -1.0969 1.116 1.343 0.496 -1.236 -1.463 -0.616 -0.5349 -0.5349 0.13 1.06 1 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 117 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 2 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C0633000000000000000000000000000000000000000000000000000000000000000001E00100000000000E180060208034004000800000018000000000000000000000800010200000000000900000000001000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 2-carbamoyloxyethyl(trimethyl)ammonium IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 2-carbamoyloxyethyl(trimethyl)ammonium IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 2-carbamoyloxyethyl(trimethyl)azanium IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 2-aminocarbonyloxyethyl(trimethyl)azanium IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 2-carbamoyloxyethyl(trimethyl)ammonium InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 VPJXQGSRWJZDOB-UHFFFAOYSA-O 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 2011.09.13 147.113353 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C6H15N2O2+ Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 147.1955 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C[N+](C)(C)CCOC(=O)N SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C[N+](C)(C)CCOC(=O)N Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 52.3 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 147.113353 10 0 0 0 0 0 0 0 1 2