23558 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 59 60 61 62 63 64 65 66 67 68 69 70 71 72 17 7 6 6 6 6 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 1 1 1 1 1 1 1 1 1 -1 2 1 2 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 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 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 3 4 7 8 5 25 26 6 27 28 9 29 30 10 31 32 33 34 35 36 37 38 11 39 40 12 41 42 13 43 44 14 45 46 15 47 48 16 49 50 17 51 52 18 53 54 19 55 56 20 57 58 21 59 60 22 61 62 23 63 64 24 65 66 67 68 69 70 71 72 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 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 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 59 60 61 62 63 64 65 66 67 68 69 70 71 72 8.9472 9.1972 10.0632 8.3312 10.9292 7.4651 8.6972 9.6972 11.7953 6.5991 12.6613 5.7331 13.5273 4.8671 14.3933 4.001 15.2594 3.135 16.1254 2.269 16.9914 1.403 17.8574 0.5369 10.4617 9.6647 7.9326 8.7297 10.5307 11.3278 7.8637 7.0666 9.2341 8.3872 8.1602 9.1602 10.0072 10.2341 12.1938 11.3967 6.2006 6.9976 12.2628 13.0598 6.1316 5.3346 13.9258 13.1288 4.4685 5.2656 13.9948 14.7919 4.3996 3.6025 15.6579 14.8608 2.7365 3.5335 15.7269 16.5239 2.6675 1.8705 17.3899 16.5929 1.0044 1.8015 17.5474 18.3944 18.1674 0.8469 0 0.2269 0 3.903 4.403 3.403 3.903 3.903 4.769 3.0369 4.403 3.403 3.903 3.903 4.403 3.403 3.903 3.903 4.403 3.403 3.903 3.903 4.403 3.403 3.903 3.903 4.8779 4.8779 2.928 2.928 3.428 3.428 4.3779 4.3779 5.079 5.3059 4.459 2.7269 2.5 3.3469 4.8779 4.8779 2.928 2.928 3.428 3.428 4.3779 4.3779 4.8779 4.8779 2.928 2.928 3.428 3.428 4.3779 4.3779 4.8779 4.8779 2.928 2.928 3.428 3.428 4.3779 4.3779 4.8779 4.8779 2.928 2.928 3.366 3.593 4.4399 4.4399 4.213 3.366 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 200 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 18 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371F07A0000040000000000000000000000000000000000000000000000000000000000001C00000000000800C100040200030000000000000000000000000000000000000800000000020080000400000000008000011080800000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 didecyl(dimethyl)ammonium;chloride IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 didecyl(dimethyl)ammonium;chloride IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 didecyl(dimethyl)azanium;chloride IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 didecyl(dimethyl)azanium;chloride IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 didecyl(dimethyl)azanium;chloride IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 didecyl(dimethyl)ammonium;chloride InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C22H48N.ClH/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;/h5-22H2,1-4H3;1H/q+1;/p-1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 RUPBZQFQVRMKDG-UHFFFAOYSA-M Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 361.3475282 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C22H48ClN Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 362.1 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCCCCCCCC[N+](C)(C)CCCCCCCCCC.[Cl-] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCCCCCCCC[N+](C)(C)CCCCCCCCCC.[Cl-] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 361.3475282 24 0 0 0 0 0 0 0 2 -1