16211989 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 9 8 7 6 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 3 1 2 2 3 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 9 9 10 10 11 11 12 12 13 30 31 4 5 6 7 8 14 15 16 17 18 19 20 21 22 23 24 9 10 11 25 12 26 13 27 13 28 29 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 2 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 4.6598 0.5369 5.3429 4.4768 6.2089 4.8429 5.8429 4.4768 5.3429 3.6108 5.3429 3.6108 4.4768 4.2648 3.8662 6.5189 6.7458 5.8989 5.3798 4.5329 4.3059 5.3059 6.1529 6.3798 5.8798 3.0739 5.8798 3.0739 4.4768 1.0739 0 0 3.7615 6.62 6.12 7.12 7.486 5.754 5.12 4.62 4.62 3.62 3.62 3.12 6.7026 6.0123 6.5831 7.43 7.6569 7.796 8.023 7.176 5.444 5.217 6.064 4.93 4.93 3.31 3.31 2.5 4.0715 4.0715 8 8 8 8 8 8 8 8 9 10 11 12 9 10 11 12 13 13 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 107 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E0722100000000000000000000000000000000000000300000000000000000010000001C00000800000C00C118043200830000008002204200008200002000000888000804880820228091118420086080000888071080000E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 benzyl(trimethyl)ammonium;fluoride;hydrate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 trimethyl-(phenylmethyl)ammonium;fluoride;hydrate IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 benzyl(trimethyl)azanium;fluoride;hydrate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 benzyl(trimethyl)azanium;fluoride;hydrate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 trimethyl-(phenylmethyl)azanium;fluoride;hydrate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 benzyl(trimethyl)ammonium;fluoride;hydrate InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C10H16N.FH.H2O/c1-11(2,3)9-10-7-5-4-6-8-10;;/h4-8H,9H2,1-3H3;1H;1H2/q+1;;/p-1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 RQVPEOYSZICMEA-UHFFFAOYSA-M Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 187.137242360 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C10H18FNO Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 187.25 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C[N+](C)(C)CC1=CC=CC=C1.O.[F-] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C[N+](C)(C)CC1=CC=CC=C1.O.[F-] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 187.137242360 13 0 0 0 0 0 0 0 3 -1