methyl 5-chloro-2-[[2-(1-ethylpyrrolidin-1-ium-1-yl)acetyl]amino]-3-methylbenzoate;bis(methyl 5-chloro-2-[2-(1-ethylpyrrolidin-1-ium-1-yl)butanoylamino]-3-methylbenzoate);methyl 5-chloro-2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-3-methylbenzoate;methyl 5-chloro-2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclopropanecarbonyl]amino]-3-methylbenzoate;methyl 5-chloro-2-[2-(1-ethylpyrrolidin-1-ium-1-yl)pentanoylamino]-3-methylbenzoate;methyl 5-chloro-2-[2-(1-ethylpyrrolidin-1-ium-1-yl)propanoylamino]-3-methylbenzoate;methyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)butanoylamino]-5-fluoro-3-methylbenzoate;methyl 2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-5-fluoro-3-methylbenzoate;nonakis(yttrium)

C171H246Cl7F2N18O27Y9+9 — CID 161379528

IUPACmethyl 5-chloro-2-[[2-(1-ethylpyrrolidin-1-ium-1-yl)acetyl]amino]-3-methylbenzoate;bis(methyl 5-chloro-2-[2-(1-ethylpyrrolidin-1-ium-1-yl)butanoylamino]-3-methylbenzoate);methyl 5-chloro-2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-3-methylbenzoate;methyl 5-chloro-2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclopropanecarbonyl]amino]-3-methylbenzoate;methyl 5-chloro-2-[2-(1-ethylpyrrolidin-1-ium-1-yl)pentanoylamino]-3-methylbenzoate;methyl 5-chloro-2-[2-(1-ethylpyrrolidin-1-ium-1-yl)propanoylamino]-3-methylbenzoate;methyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)butanoylamino]-5-fluoro-3-methylbenzoate;methyl 2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-5-fluoro-3-methylbenzoate;nonakis(yttrium)
SMILESCCC(C(=O)Nc1c(C)cc(Cl)cc1C(=O)OC)[N+]1(CC)CCCC1.CCC(C(=O)Nc1c(C)cc(Cl)cc1C(=O)OC)[N+]1(CC)CCCC1.CCC(C(=O)Nc1c(C)cc(F)cc1C(=O)OC)[N+]1(CC)CCCC1.CCCC(C(=O)Nc1c(C)cc(Cl)cc1C(=O)OC)[N+]1(CC)CCCC1.CC[N+]1(C(C)C(=O)Nc2c(C)cc(Cl)cc2C(=O)OC)CCCC1.CC[N+]1(C2(C(=O)Nc3c(C)cc(Cl)cc3C(=O)OC)CC2)CCCC1.CC[N+]1(C2(C(=O)Nc3c(C)cc(Cl)cc3C(=O)OC)CCC2)CCCC1.CC[N+]1(C2(C(=O)Nc3c(C)cc(F)cc3C(=O)OC)CCC2)CCCC1.CC[N+]1(CC(=O)Nc2c(C)cc(Cl)cc2C(=O)OC)CCCC1.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C20H27ClN2O3.C20H29ClN2O3.C20H27FN2O3.C19H25ClN2O3.2C19H27ClN2O3.C19H27FN2O3.C18H25ClN2O3.C17H23ClN2O3.9Y/c1-4-23(10-5-6-11-23)20(8-7-9-20)19(25)22-17-14(2)12-15(21)13-16(17)18(24)26-3;1-5-9-17(23(6-2)10-7-8-11-23)19(24)22-18-14(3)12-15(21)13-16(18)20(25)26-4;1-4-23(10-5-6-11-23)20(8-7-9-20)19(25)22-17-14(2)12-15(21)13-16(17)18(24)26-3;1-4-22(9-5-6-10-22)19(7-8-19)18(24)21-16-13(2)11-14(20)12-15(16)17(23)25-3;3*1-5-16(22(6-2)9-7-8-10-22)18(23)21-17-13(3)11-14(20)12-15(17)19(24)25-4;1-5-21(8-6-7-9-21)13(3)17(22)20-16-12(2)10-14(19)11-15(16)18(23)24-4;1-4-20(7-5-6-8-20)11-15(21)19-16-12(2)9-13(18)10-14(16)17(22)23-3;;;;;;;;;/h12-13H,4-11H2,1-3H3;12-13,17H,5-11H2,1-4H3;12-13H,4-11H2,1-3H3;11-12H,4-10H2,1-3H3;3*11-12,16H,5-10H2,1-4H3;10-11,13H,5-9H2,1-4H3;9-10H,4-8,11H2,1-3H3;;;;;;;;;/p+9
InChIKeyPGQWPLAMPYTMLP-UHFFFAOYSA-W
MW4072.27 g/mol
LogP32.26
Rot. Bonds50

About methyl 5-chloro-2-[[2-(1-ethylpyrrolidin-1-ium-1-yl)acetyl]amino]-3-methylbenzoate;bis(methyl 5-chloro-2-[2-(1-ethylpyrrolidin-1-ium-1-yl)butanoylamino]-3-methylbenzoate);methyl 5-chloro-2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-3-methylbenzoate;methyl 5-chloro-2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclopropanecarbonyl]amino]-3-methylbenzoate;methyl 5-chloro-2-[2-(1-ethylpyrrolidin-1-ium-1-yl)pentanoylamino]-3-methylbenzoate;methyl 5-chloro-2-[2-(1-ethylpyrrolidin-1-ium-1-yl)propanoylamino]-3-methylbenzoate;methyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)butanoylamino]-5-fluoro-3-methylbenzoate;methyl 2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-5-fluoro-3-methylbenzoate;nonakis(yttrium)

methyl 5-chloro-2-[[2-(1-ethylpyrrolidin-1-ium-1-yl)acetyl]amino]-3-methylbenzoate;bis(methyl 5-chloro-2-[2-(1-ethylpyrrolidin-1-ium-1-yl)butanoylamino]-3-methylbenzoate);methyl 5-chloro-2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-3-methylbenzoate;methyl 5-chloro-2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclopropanecarbonyl]amino]-3-methylbenzoate;methyl 5-chloro-2-[2-(1-ethylpyrrolidin-1-ium-1-yl)pentanoylamino]-3-methylbenzoate;methyl 5-chloro-2-[2-(1-ethylpyrrolidin-1-ium-1-yl)propanoylamino]-3-methylbenzoate;methyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)butanoylamino]-5-fluoro-3-methylbenzoate;methyl 2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-5-fluoro-3-methylbenzoate;nonakis(yttrium) (PubChem CID 161379528) has the molecular formula C171H246Cl7F2N18O27Y9+9 and a molecular weight of 4072.27 g/mol. Its IUPAC name is methyl 5-chloro-2-[[2-(1-ethylpyrrolidin-1-ium-1-yl)acetyl]amino]-3-methylbenzoate;bis(methyl 5-chloro-2-[2-(1-ethylpyrrolidin-1-ium-1-yl)butanoylamino]-3-methylbenzoate);methyl 5-chloro-2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-3-methylbenzoate;methyl 5-chloro-2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclopropanecarbonyl]amino]-3-methylbenzoate;methyl 5-chloro-2-[2-(1-ethylpyrrolidin-1-ium-1-yl)pentanoylamino]-3-methylbenzoate;methyl 5-chloro-2-[2-(1-ethylpyrrolidin-1-ium-1-yl)propanoylamino]-3-methylbenzoate;methyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)butanoylamino]-5-fluoro-3-methylbenzoate;methyl 2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-5-fluoro-3-methylbenzoate;nonakis(yttrium).

Molecular Properties

Compound Namemethyl 5-chloro-2-[[2-(1-ethylpyrrolidin-1-ium-1-yl)acetyl]amino]-3-methylbenzoate;bis(methyl 5-chloro-2-[2-(1-ethylpyrrolidin-1-ium-1-yl)butanoylamino]-3-methylbenzoate);methyl 5-chloro-2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-3-methylbenzoate;methyl 5-chloro-2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclopropanecarbonyl]amino]-3-methylbenzoate;methyl 5-chloro-2-[2-(1-ethylpyrrolidin-1-ium-1-yl)pentanoylamino]-3-methylbenzoate;methyl 5-chloro-2-[2-(1-ethylpyrrolidin-1-ium-1-yl)propanoylamino]-3-methylbenzoate;methyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)butanoylamino]-5-fluoro-3-methylbenzoate;methyl 2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-5-fluoro-3-methylbenzoate;nonakis(yttrium)
PubChem CID161379528
Molecular FormulaC171H246Cl7F2N18O27Y9+9
Molecular Weight4072.27 g/mol
Exact Mass4066.77
IUPAC Namemethyl 5-chloro-2-[[2-(1-ethylpyrrolidin-1-ium-1-yl)acetyl]amino]-3-methylbenzoate;bis(methyl 5-chloro-2-[2-(1-ethylpyrrolidin-1-ium-1-yl)butanoylamino]-3-methylbenzoate);methyl 5-chloro-2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-3-methylbenzoate;methyl 5-chloro-2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclopropanecarbonyl]amino]-3-methylbenzoate;methyl 5-chloro-2-[2-(1-ethylpyrrolidin-1-ium-1-yl)pentanoylamino]-3-methylbenzoate;methyl 5-chloro-2-[2-(1-ethylpyrrolidin-1-ium-1-yl)propanoylamino]-3-methylbenzoate;methyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)butanoylamino]-5-fluoro-3-methylbenzoate;methyl 2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-5-fluoro-3-methylbenzoate;nonakis(yttrium)
SMILESCCC(C(=O)Nc1c(C)cc(Cl)cc1C(=O)OC)[N+]1(CC)CCCC1.CCC(C(=O)Nc1c(C)cc(Cl)cc1C(=O)OC)[N+]1(CC)CCCC1.CCC(C(=O)Nc1c(C)cc(F)cc1C(=O)OC)[N+]1(CC)CCCC1.CCCC(C(=O)Nc1c(C)cc(Cl)cc1C(=O)OC)[N+]1(CC)CCCC1.CC[N+]1(C(C)C(=O)Nc2c(C)cc(Cl)cc2C(=O)OC)CCCC1.CC[N+]1(C2(C(=O)Nc3c(C)cc(Cl)cc3C(=O)OC)CC2)CCCC1.CC[N+]1(C2(C(=O)Nc3c(C)cc(Cl)cc3C(=O)OC)CCC2)CCCC1.CC[N+]1(C2(C(=O)Nc3c(C)cc(F)cc3C(=O)OC)CCC2)CCCC1.CC[N+]1(CC(=O)Nc2c(C)cc(Cl)cc2C(=O)OC)CCCC1.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C20H27ClN2O3.C20H29ClN2O3.C20H27FN2O3.C19H25ClN2O3.2C19H27ClN2O3.C19H27FN2O3.C18H25ClN2O3.C17H23ClN2O3.9Y/c1-4-23(10-5-6-11-23)20(8-7-9-20)19(25)22-17-14(2)12-15(21)13-16(17)18(24)26-3;1-5-9-17(23(6-2)10-7-8-11-23)19(24)22-18-14(3)12-15(21)13-16(18)20(25)26-4;1-4-23(10-5-6-11-23)20(8-7-9-20)19(25)22-17-14(2)12-15(21)13-16(17)18(24)26-3;1-4-22(9-5-6-10-22)19(7-8-19)18(24)21-16-13(2)11-14(20)12-15(16)17(23)25-3;3*1-5-16(22(6-2)9-7-8-10-22)18(23)21-17-13(3)11-14(20)12-15(17)19(24)25-4;1-5-21(8-6-7-9-21)13(3)17(22)20-16-12(2)10-14(19)11-15(16)18(23)24-4;1-4-20(7-5-6-8-20)11-15(21)19-16-12(2)9-13(18)10-14(16)17(22)23-3;;;;;;;;;/h12-13H,4-11H2,1-3H3;12-13,17H,5-11H2,1-4H3;12-13H,4-11H2,1-3H3;11-12H,4-10H2,1-3H3;3*11-12,16H,5-10H2,1-4H3;10-11,13H,5-9H2,1-4H3;9-10H,4-8,11H2,1-3H3;;;;;;;;;/p+9
InChIKeyPGQWPLAMPYTMLP-UHFFFAOYSA-W
XLogP32.26
TPSA498.60 Ų
H-Bond Donors9
H-Bond Acceptors27
Rotatable Bonds50
Heavy Atoms234
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004072.27
LogP ≤ 532.26
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze methyl 5-chloro-2-[[2-(1-ethylpyrrolidin-1-ium-1-yl)acetyl]amino]-3-methylbenzoate;bis(methyl 5-chloro-2-[2-(1-ethylpyrrolidin-1-ium-1-yl)butanoylamino]-3-methylbenzoate);methyl 5-chloro-2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-3-methylbenzoate;methyl 5-chloro-2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclopropanecarbonyl]amino]-3-methylbenzoate;methyl 5-chloro-2-[2-(1-ethylpyrrolidin-1-ium-1-yl)pentanoylamino]-3-methylbenzoate;methyl 5-chloro-2-[2-(1-ethylpyrrolidin-1-ium-1-yl)propanoylamino]-3-methylbenzoate;methyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)butanoylamino]-5-fluoro-3-methylbenzoate;methyl 2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-5-fluoro-3-methylbenzoate;nonakis(yttrium) with MolForge

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Related Compounds

ethyl 2-[[2-(1-ethylpyrrolidin-1-ium-1-yl)acetyl]amino]-5-fluoro-3-methylbenzoate;bis(ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)butanoylamino]-5-fluoro-3-methylbenzoate);ethyl 2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-5-fluoro-3-methylbenzoate;ethyl 2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclopropanecarbonyl]amino]-5-fluoro-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)pentanoylamino]-5-fluoro-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)propanoylamino]-5-fluoro-3-methylbenzoate;heptakis(yttrium)
CID 159875411
ethyl 5-chloro-2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-3-methylbenzoate;ethyl 2-[[2-(1-ethylpyrrolidin-1-ium-5-id-1-yl)acetyl]amino]-5-methoxy-3-methylbenzoate;ethyl 2-[[1-(1-ethylpyrrolidin-1-ium-5-id-1-yl)cyclobutanecarbonyl]amino]-5-isocyano-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-5-id-1-yl)propanoylamino]-5-methoxy-3-methylbenzoate;ethyl 2-[[2-(1-ethylpyrrolidin-1-ium-1-yl)acetyl]amino]-5-isocyano-3-methylbenzoate;bis(ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)butanoylamino]-5-isocyano-3-methylbenzoate);ethyl 2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclopropanecarbonyl]amino]-5-isocyano-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)pentanoylamino]-5-isocyano-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)propanoylamino]-5-isocyano-3-methylbenzoate;decakis(yttrium)
CID 158469414
ethyl 2-[2-(1-ethylpiperidin-1-ium-1-yl)pentanoylamino]-5-fluoro-3-methylbenzoate
CID 157472401
ethyl 5-chloro-2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-3-methylbenzoate
CID 158469422
ethyl 2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclopropanecarbonyl]amino]-5-fluoro-3-methylbenzoate
CID 159875413
methyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)pentanoylamino]-3,5-dimethylbenzoate
CID 157148530
1-(1-ethylpiperidin-1-ium-1-yl)-N-(4-fluoro-2,6-dimethylphenyl)cyclobutane-1-carboxamide;yttrium
CID 158491932
methyl 2-[[1-(1-ethylazepan-1-ium-1-yl)cyclopropanecarbonyl]amino]-3,5-dimethylbenzoate
CID 157440074
ethyl 5-chloro-2-[[2-(1-ethylazepan-1-ium-1-yl)acetyl]amino]-3-methylbenzoate
CID 160989260
methyl 5-chloro-3-methyl-2-[[1-[1-(2-oxo-2-phenylmethoxyethyl)piperidin-1-ium-1-yl]cyclobutanecarbonyl]amino]benzoate
CID 170269528
methyl 5-chloro-3-methyl-2-[[1-[1-(2-oxo-2-phenylmethoxyethyl)azepan-1-ium-1-yl]cyclobutanecarbonyl]amino]benzoate
CID 170269571
N-(4-chloro-2,6-dimethylphenyl)-2-(1-ethylazepan-1-ium-1-yl)propanamide
CID 159712870

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-2-[[2-(1-ethylpyrrolidin-1-ium-1-yl)acetyl]amino]-3-methylbenzoate;bis(methyl 5-chloro-2-[2-(1-ethylpyrrolidin-1-ium-1-yl)butanoylamino]-3-methylbenzoate);methyl 5-chloro-2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-3-methylbenzoate;methyl 5-chloro-2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclopropanecarbonyl]amino]-3-methylbenzoate;methyl 5-chloro-2-[2-(1-ethylpyrrolidin-1-ium-1-yl)pentanoylamino]-3-methylbenzoate;methyl 5-chloro-2-[2-(1-ethylpyrrolidin-1-ium-1-yl)propanoylamino]-3-methylbenzoate;methyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)butanoylamino]-5-fluoro-3-methylbenzoate;methyl 2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-5-fluoro-3-methylbenzoate;nonakis(yttrium)?
The IUPAC name of methyl 5-chloro-2-[[2-(1-ethylpyrrolidin-1-ium-1-yl)acetyl]amino]-3-methylbenzoate;bis(methyl 5-chloro-2-[2-(1-ethylpyrrolidin-1-ium-1-yl)butanoylamino]-3-methylbenzoate);methyl 5-chloro-2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-3-methylbenzoate;methyl 5-chloro-2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclopropanecarbonyl]amino]-3-methylbenzoate;methyl 5-chloro-2-[2-(1-ethylpyrrolidin-1-ium-1-yl)pentanoylamino]-3-methylbenzoate;methyl 5-chloro-2-[2-(1-ethylpyrrolidin-1-ium-1-yl)propanoylamino]-3-methylbenzoate;methyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)butanoylamino]-5-fluoro-3-methylbenzoate;methyl 2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-5-fluoro-3-methylbenzoate;nonakis(yttrium) (CID 161379528) is methyl 5-chloro-2-[[2-(1-ethylpyrrolidin-1-ium-1-yl)acetyl]amino]-3-methylbenzoate;bis(methyl 5-chloro-2-[2-(1-ethylpyrrolidin-1-ium-1-yl)butanoylamino]-3-methylbenzoate);methyl 5-chloro-2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-3-methylbenzoate;methyl 5-chloro-2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclopropanecarbonyl]amino]-3-methylbenzoate;methyl 5-chloro-2-[2-(1-ethylpyrrolidin-1-ium-1-yl)pentanoylamino]-3-methylbenzoate;methyl 5-chloro-2-[2-(1-ethylpyrrolidin-1-ium-1-yl)propanoylamino]-3-methylbenzoate;methyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)butanoylamino]-5-fluoro-3-methylbenzoate;methyl 2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-5-fluoro-3-methylbenzoate;nonakis(yttrium).
What is the SMILES notation for methyl 5-chloro-2-[[2-(1-ethylpyrrolidin-1-ium-1-yl)acetyl]amino]-3-methylbenzoate;bis(methyl 5-chloro-2-[2-(1-ethylpyrrolidin-1-ium-1-yl)butanoylamino]-3-methylbenzoate);methyl 5-chloro-2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-3-methylbenzoate;methyl 5-chloro-2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclopropanecarbonyl]amino]-3-methylbenzoate;methyl 5-chloro-2-[2-(1-ethylpyrrolidin-1-ium-1-yl)pentanoylamino]-3-methylbenzoate;methyl 5-chloro-2-[2-(1-ethylpyrrolidin-1-ium-1-yl)propanoylamino]-3-methylbenzoate;methyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)butanoylamino]-5-fluoro-3-methylbenzoate;methyl 2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-5-fluoro-3-methylbenzoate;nonakis(yttrium)?
The canonical SMILES for methyl 5-chloro-2-[[2-(1-ethylpyrrolidin-1-ium-1-yl)acetyl]amino]-3-methylbenzoate;bis(methyl 5-chloro-2-[2-(1-ethylpyrrolidin-1-ium-1-yl)butanoylamino]-3-methylbenzoate);methyl 5-chloro-2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-3-methylbenzoate;methyl 5-chloro-2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclopropanecarbonyl]amino]-3-methylbenzoate;methyl 5-chloro-2-[2-(1-ethylpyrrolidin-1-ium-1-yl)pentanoylamino]-3-methylbenzoate;methyl 5-chloro-2-[2-(1-ethylpyrrolidin-1-ium-1-yl)propanoylamino]-3-methylbenzoate;methyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)butanoylamino]-5-fluoro-3-methylbenzoate;methyl 2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-5-fluoro-3-methylbenzoate;nonakis(yttrium) is CCC(C(=O)Nc1c(C)cc(Cl)cc1C(=O)OC)[N+]1(CC)CCCC1.CCC(C(=O)Nc1c(C)cc(Cl)cc1C(=O)OC)[N+]1(CC)CCCC1.CCC(C(=O)Nc1c(C)cc(F)cc1C(=O)OC)[N+]1(CC)CCCC1.CCCC(C(=O)Nc1c(C)cc(Cl)cc1C(=O)OC)[N+]1(CC)CCCC1.CC[N+]1(C(C)C(=O)Nc2c(C)cc(Cl)cc2C(=O)OC)CCCC1.CC[N+]1(C2(C(=O)Nc3c(C)cc(Cl)cc3C(=O)OC)CC2)CCCC1.CC[N+]1(C2(C(=O)Nc3c(C)cc(Cl)cc3C(=O)OC)CCC2)CCCC1.CC[N+]1(C2(C(=O)Nc3c(C)cc(F)cc3C(=O)OC)CCC2)CCCC1.CC[N+]1(CC(=O)Nc2c(C)cc(Cl)cc2C(=O)OC)CCCC1.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of methyl 5-chloro-2-[[2-(1-ethylpyrrolidin-1-ium-1-yl)acetyl]amino]-3-methylbenzoate;bis(methyl 5-chloro-2-[2-(1-ethylpyrrolidin-1-ium-1-yl)butanoylamino]-3-methylbenzoate);methyl 5-chloro-2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-3-methylbenzoate;methyl 5-chloro-2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclopropanecarbonyl]amino]-3-methylbenzoate;methyl 5-chloro-2-[2-(1-ethylpyrrolidin-1-ium-1-yl)pentanoylamino]-3-methylbenzoate;methyl 5-chloro-2-[2-(1-ethylpyrrolidin-1-ium-1-yl)propanoylamino]-3-methylbenzoate;methyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)butanoylamino]-5-fluoro-3-methylbenzoate;methyl 2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-5-fluoro-3-methylbenzoate;nonakis(yttrium)?
The InChIKey is PGQWPLAMPYTMLP-UHFFFAOYSA-W. The full InChI is InChI=1S/C20H27ClN2O3.C20H29ClN2O3.C20H27FN2O3.C19H25ClN2O3.2C19H27ClN2O3.C19H27FN2O3.C18H25ClN2O3.C17H23ClN2O3.9Y/c1-4-23(10-5-6-11-23)20(8-7-9-20)19(25)22-17-14(2)12-15(21)13-16(17)18(24)26-3;1-5-9-17(23(6-2)10-7-8-11-23)19(24)22-18-14(3)12-15(21)13-16(18)20(25)26-4;1-4-23(10-5-6-11-23)20(8-7-9-20)19(25)22-17-14(2)12-15(21)13-16(17)18(24)26-3;1-4-22(9-5-6-10-22)19(7-8-19)18(24)21-16-13(2)11-14(20)12-15(16)17(23)25-3;3*1-5-16(22(6-2)9-7-8-10-22)18(23)21-17-13(3)11-14(20)12-15(17)19(24)25-4;1-5-21(8-6-7-9-21)13(3)17(22)20-16-12(2)10-14(19)11-15(16)18(23)24-4;1-4-20(7-5-6-8-20)11-15(21)19-16-12(2)9-13(18)10-14(16)17(22)23-3;;;;;;;;;/h12-13H,4-11H2,1-3H3;12-13,17H,5-11H2,1-4H3;12-13H,4-11H2,1-3H3;11-12H,4-10H2,1-3H3;3*11-12,16H,5-10H2,1-4H3;10-11,13H,5-9H2,1-4H3;9-10H,4-8,11H2,1-3H3;;;;;;;;;/p+9.
What are the key properties of methyl 5-chloro-2-[[2-(1-ethylpyrrolidin-1-ium-1-yl)acetyl]amino]-3-methylbenzoate;bis(methyl 5-chloro-2-[2-(1-ethylpyrrolidin-1-ium-1-yl)butanoylamino]-3-methylbenzoate);methyl 5-chloro-2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-3-methylbenzoate;methyl 5-chloro-2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclopropanecarbonyl]amino]-3-methylbenzoate;methyl 5-chloro-2-[2-(1-ethylpyrrolidin-1-ium-1-yl)pentanoylamino]-3-methylbenzoate;methyl 5-chloro-2-[2-(1-ethylpyrrolidin-1-ium-1-yl)propanoylamino]-3-methylbenzoate;methyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)butanoylamino]-5-fluoro-3-methylbenzoate;methyl 2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-5-fluoro-3-methylbenzoate;nonakis(yttrium)?
methyl 5-chloro-2-[[2-(1-ethylpyrrolidin-1-ium-1-yl)acetyl]amino]-3-methylbenzoate;bis(methyl 5-chloro-2-[2-(1-ethylpyrrolidin-1-ium-1-yl)butanoylamino]-3-methylbenzoate);methyl 5-chloro-2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-3-methylbenzoate;methyl 5-chloro-2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclopropanecarbonyl]amino]-3-methylbenzoate;methyl 5-chloro-2-[2-(1-ethylpyrrolidin-1-ium-1-yl)pentanoylamino]-3-methylbenzoate;methyl 5-chloro-2-[2-(1-ethylpyrrolidin-1-ium-1-yl)propanoylamino]-3-methylbenzoate;methyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)butanoylamino]-5-fluoro-3-methylbenzoate;methyl 2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-5-fluoro-3-methylbenzoate;nonakis(yttrium) has a molecular weight of 4072.27 g/mol, XLogP of 32.26, 50 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-2-[[2-(1-ethylpyrrolidin-1-ium-1-yl)acetyl]amino]-3-methylbenzoate;bis(methyl 5-chloro-2-[2-(1-ethylpyrrolidin-1-ium-1-yl)butanoylamino]-3-methylbenzoate);methyl 5-chloro-2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-3-methylbenzoate;methyl 5-chloro-2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclopropanecarbonyl]amino]-3-methylbenzoate;methyl 5-chloro-2-[2-(1-ethylpyrrolidin-1-ium-1-yl)pentanoylamino]-3-methylbenzoate;methyl 5-chloro-2-[2-(1-ethylpyrrolidin-1-ium-1-yl)propanoylamino]-3-methylbenzoate;methyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)butanoylamino]-5-fluoro-3-methylbenzoate;methyl 2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-5-fluoro-3-methylbenzoate;nonakis(yttrium) is sourced from PubChem (CID 161379528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).