6433498 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 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 9 7 6 6 6 6 6 6 6 6 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -1 2 1 2 2 2 2 3 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 17 17 17 18 18 19 20 20 20 16 53 54 55 4 5 21 22 6 23 24 7 25 26 12 27 28 13 29 30 9 10 31 32 11 33 34 14 35 36 15 37 38 16 39 40 18 41 42 17 43 44 19 45 46 47 48 20 49 50 19 51 52 56 57 58 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 18 13 51 19 52 15 2 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 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 8.0812 16.1254 11.7953 12.6613 10.9292 13.5273 10.0632 4.001 4.8671 3.135 5.7331 14.3933 9.1972 2.269 6.5991 15.2594 1.403 8.3312 7.4651 0.5369 11.3967 12.1938 13.0598 12.2628 11.3278 10.5307 13.1288 13.9258 9.6647 10.4617 4.3996 3.6025 4.4685 5.2656 2.7365 3.5335 6.1316 5.3346 14.7919 13.9948 9.5957 8.7987 2.6675 1.8705 6.2006 6.9976 14.8608 15.6579 1.0044 1.8015 8.3312 7.4651 16.6623 16.4354 15.8154 0.8469 0 0.2269 0 3.62 3.12 3.62 3.62 3.12 3.12 3.62 3.12 3.12 3.62 3.62 3.62 3.62 3.12 3.12 3.12 3.12 3.62 3.62 2.645 2.645 4.095 4.095 4.095 4.095 2.645 2.645 2.645 2.645 4.095 4.095 2.645 2.645 2.645 2.645 4.095 4.095 4.095 4.095 4.095 4.095 4.095 4.095 2.645 2.645 2.645 2.645 2.645 2.645 2.5 4.24 3.93 3.0831 4.1569 4.1569 3.93 3.0831 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 175 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 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 15 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371F07A0100000000000000000000000000000000000000000000000000000000000000001C00100000000800C100040200004000008000204200000000002000000808800000080000020081000000000090000800031080800000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 [(E)-octadec-9-enyl]ammonium;fluoride IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 [(E)-octadec-9-enyl]ammonium;fluoride IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 [(<I>E</I>)-octadec-9-enyl]azanium;fluoride IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 [(E)-octadec-9-enyl]azanium;fluoride IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 [(E)-octadec-9-enyl]azanium;fluoride IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 [(E)-octadec-9-enyl]ammonium;fluoride InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C18H37N.FH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;/h9-10H,2-8,11-19H2,1H3;1H/b10-9+; InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 QGSCPWWHMSCFOV-RRABGKBLSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 287.29882838 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C18H38FN Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 287.5 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCCCCCC=CCCCCCCCC[NH3+].[F-] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCCCCC/C=C/CCCCCCCC[NH3+].[F-] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 27.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 287.29882838 20 0 0 0 1 1 0 0 2 -1