16188549 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 17 9 9 9 9 8 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 5 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 8 1 33 -1 1 2 3 4 5 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 19 19 20 20 21 22 23 23 24 24 25 25 26 27 28 28 29 29 30 30 31 31 32 26 33 33 33 33 21 22 9 10 39 11 18 52 12 14 15 13 16 17 12 13 34 35 36 37 38 40 41 42 43 44 45 46 47 48 49 50 51 19 20 21 23 22 53 24 25 26 54 27 55 28 29 27 56 30 57 31 58 32 59 32 60 61 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 2 1 2 1 1 1 2 1 2 1 2 1 1 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 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 3.744 1.732 0 0.366 1.366 7.2741 9.8722 7.2741 9.8722 9.0061 8.1401 9.0061 8.1401 10.8721 10.3721 9.5061 8.5061 7.2741 6.408 8.1401 6.408 8.1401 5.5141 5.5141 9.0061 4.608 4.608 9.0061 9.8722 9.8722 10.7382 10.7382 0.866 7.6032 8.6076 9.4046 7.928 7.5295 10.4091 10.8721 11.4921 10.8721 9.8352 10.6821 10.9091 10.0431 9.8161 8.9692 9.0431 8.1961 7.9692 6.7371 8.677 5.5213 5.5213 4.0723 8.4692 9.8722 9.8722 11.2751 11.2751 4.1442 4.7615 3.7615 5.1275 3.3954 2.12 6.62 5.12 5.62 7.12 5.62 5.12 6.62 5.62 4.754 7.986 7.986 4.12 3.62 3.62 2.62 2.62 4.1547 2.0853 2.12 3.6408 2.5992 1.12 2.62 0.62 2.12 1.12 4.2615 5.93 4.645 4.645 7.2026 6.5123 6.93 5 5.62 6.24 4.444 4.217 5.064 7.676 8.523 8.296 8.296 8.523 7.676 5.43 3.93 4.7746 1.4654 2.2871 0.81 3.24 0 2.43 0.81 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 6 6 18 18 19 19 20 21 23 24 25 25 26 28 29 30 31 21 22 19 20 21 23 22 24 26 27 28 29 27 30 31 32 32 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 636 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 7 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 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 00000371E27B21C00400000000000000000000000000000000003C6081000000000000814000041E02100000000CAEC19824320682C00400A00320620400020800202500088880360A980C26A285F31A863820A4D01188A80790C0E00E00200020000800000040004000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (6-chloro-2-phenyl-chromen-4-ylidene)-(2,2,6,6-tetramethyl-4-piperidyl)ammonium;tetrafluoroborate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (6-chloro-2-phenyl-1-benzopyran-4-ylidene)-(2,2,6,6-tetramethyl-4-piperidinyl)ammonium;tetrafluoroborate IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (6-chloro-2-phenylchromen-4-ylidene)-(2,2,6,6-tetramethylpiperidin-4-yl)azanium;tetrafluoroborate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (6-chloro-2-phenylchromen-4-ylidene)-(2,2,6,6-tetramethylpiperidin-4-yl)azanium;tetrafluoroborate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (6-chloranyl-2-phenyl-chromen-4-ylidene)-(2,2,6,6-tetramethylpiperidin-4-yl)azanium;tetrafluoroborate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (6-chloro-2-phenyl-chromen-4-ylidene)-(2,2,6,6-tetramethyl-4-piperidyl)ammonium;tetrafluoroborate InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C24H27ClN2O.BF4/c1-23(2)14-18(15-24(3,4)27-23)26-20-13-22(16-8-6-5-7-9-16)28-21-11-10-17(25)12-19(20)21;2-1(3,4)5/h5-13,18,27H,14-15H2,1-4H3;/q;-1/p+1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 LVLIKCLFQFHBSY-UHFFFAOYSA-O Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 482.1919340 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C24H28BClF4N2O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 482.7 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 [B-](F)(F)(F)F.CC1(CC(CC(N1)(C)C)[NH+]=C2C=C(OC3=C2C=C(C=C3)Cl)C4=CC=CC=C4)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 [B-](F)(F)(F)F.CC1(CC(CC(N1)(C)C)[NH+]=C2C=C(OC3=C2C=C(C=C3)Cl)C4=CC=CC=C4)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 35.2 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 482.1919340 33 0 0 0 0 0 0 0 2 -1