ethyl-[2-[5-methoxypentyl(dimethyl)azaniumyl]ethyl]-dimethylazanium;ethyl(trimethyl)azanium;methane;4-methoxybutane-1-sulfonic acid;1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,4,8,11-tetramethyl-4,8,11-triaza-1-azoniacyclotetradecane;2-[2-(2-methoxyethoxy)ethyl]propanedioic acid;4-(5-methoxypentoxy)pyridine-2,6-dicarboxylic acid;3-[1-(3-methoxypropyl)pyridin-1-ium-4-yl]propanoic acid;3-[1-(3-methoxypropyl)pyridin-1-ium-2-yl]propan-1-ol;tetraethylazanium;triethyl-[[4-(methoxymethyl)phenyl]methyl]azanium;triethyl-[[6-(methoxymethyl)-2-pyridinyl]methyl]azanium;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid;triphenyl(propyl)phosphanium;dibromide;trichloride;diiodide

C153H274Br2Cl3F6I2N14O31PS+2 — CID 161251911

About ethyl-[2-[5-methoxypentyl(dimethyl)azaniumyl]ethyl]-dimethylazanium;ethyl(trimethyl)azanium;methane;4-methoxybutane-1-sulfonic acid;1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,4,8,11-tetramethyl-4,8,11-triaza-1-azoniacyclotetradecane;2-[2-(2-methoxyethoxy)ethyl]propanedioic acid;4-(5-methoxypentoxy)pyridine-2,6-dicarboxylic acid;3-[1-(3-methoxypropyl)pyridin-1-ium-4-yl]propanoic acid;3-[1-(3-methoxypropyl)pyridin-1-ium-2-yl]propan-1-ol;tetraethylazanium;triethyl-[[4-(methoxymethyl)phenyl]methyl]azanium;triethyl-[[6-(methoxymethyl)-2-pyridinyl]methyl]azanium;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid;triphenyl(propyl)phosphanium;dibromide;trichloride;diiodide

ethyl-[2-[5-methoxypentyl(dimethyl)azaniumyl]ethyl]-dimethylazanium;ethyl(trimethyl)azanium;methane;4-methoxybutane-1-sulfonic acid;1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,4,8,11-tetramethyl-4,8,11-triaza-1-azoniacyclotetradecane;2-[2-(2-methoxyethoxy)ethyl]propanedioic acid;4-(5-methoxypentoxy)pyridine-2,6-dicarboxylic acid;3-[1-(3-methoxypropyl)pyridin-1-ium-4-yl]propanoic acid;3-[1-(3-methoxypropyl)pyridin-1-ium-2-yl]propan-1-ol;tetraethylazanium;triethyl-[[4-(methoxymethyl)phenyl]methyl]azanium;triethyl-[[6-(methoxymethyl)-2-pyridinyl]methyl]azanium;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid;triphenyl(propyl)phosphanium;dibromide;trichloride;diiodide (PubChem CID 161251911) has the molecular formula C153H274Br2Cl3F6I2N14O31PS+2 and a molecular weight of 3502.95 g/mol. Its IUPAC name is ethyl-[2-[5-methoxypentyl(dimethyl)azaniumyl]ethyl]-dimethylazanium;ethyl(trimethyl)azanium;methane;4-methoxybutane-1-sulfonic acid;1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,4,8,11-tetramethyl-4,8,11-triaza-1-azoniacyclotetradecane;2-[2-(2-methoxyethoxy)ethyl]propanedioic acid;4-(5-methoxypentoxy)pyridine-2,6-dicarboxylic acid;3-[1-(3-methoxypropyl)pyridin-1-ium-4-yl]propanoic acid;3-[1-(3-methoxypropyl)pyridin-1-ium-2-yl]propan-1-ol;tetraethylazanium;triethyl-[[4-(methoxymethyl)phenyl]methyl]azanium;triethyl-[[6-(methoxymethyl)-2-pyridinyl]methyl]azanium;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid;triphenyl(propyl)phosphanium;dibromide;trichloride;diiodide.

Molecular Properties

• Compound Name: ethyl-[2-[5-methoxypentyl(dimethyl)azaniumyl]ethyl]-dimethylazanium;ethyl(trimethyl)azanium;methane;4-methoxybutane-1-sulfonic acid;1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,4,8,11-tetramethyl-4,8,11-triaza-1-azoniacyclotetradecane;2-[2-(2-methoxyethoxy)ethyl]propanedioic acid;4-(5-methoxypentoxy)pyridine-2,6-dicarboxylic acid;3-[1-(3-methoxypropyl)pyridin-1-ium-4-yl]propanoic acid;3-[1-(3-methoxypropyl)pyridin-1-ium-2-yl]propan-1-ol;tetraethylazanium;triethyl-[[4-(methoxymethyl)phenyl]methyl]azanium;triethyl-[[6-(methoxymethyl)-2-pyridinyl]methyl]azanium;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid;triphenyl(propyl)phosphanium;dibromide;trichloride;diiodide
• PubChem CID: 161251911
• Molecular Formula: C153H274Br2Cl3F6I2N14O31PS+2
• Molecular Weight: 3502.95 g/mol
• Exact Mass: 3497.52
• IUPAC Name: ethyl-[2-[5-methoxypentyl(dimethyl)azaniumyl]ethyl]-dimethylazanium;ethyl(trimethyl)azanium;methane;4-methoxybutane-1-sulfonic acid;1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,4,8,11-tetramethyl-4,8,11-triaza-1-azoniacyclotetradecane;2-[2-(2-methoxyethoxy)ethyl]propanedioic acid;4-(5-methoxypentoxy)pyridine-2,6-dicarboxylic acid;3-[1-(3-methoxypropyl)pyridin-1-ium-4-yl]propanoic acid;3-[1-(3-methoxypropyl)pyridin-1-ium-2-yl]propan-1-ol;tetraethylazanium;triethyl-[[4-(methoxymethyl)phenyl]methyl]azanium;triethyl-[[6-(methoxymethyl)-2-pyridinyl]methyl]azanium;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid;triphenyl(propyl)phosphanium;dibromide;trichloride;diiodide
• SMILES: C.CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.CC[N+](C)(C)C.CC[N+](C)(C)CC[N+](C)(C)CCCCCOC.CC[N+](CC)(CC)CC.CC[N+](CC)(CC)Cc1ccc(COC)cc1.CC[N+](CC)(CC)Cc1cccc(COC)n1.COCCCCCOc1cc(C(=O)O)nc(C(=O)O)c1.COCCCCS(=O)(=O)O.COCCC[n+]1ccc(CCC(=O)O)cc1.COCCC[n+]1ccccc1CCCO.COCCOCCC(C(=O)O)C(=O)O.COCCOCCOCC[N+]1(C)CCCN(C)CCN(C)CCCN(C)CC1.O=C(O)C(F)(F)F.O=C([O-])C(F)(F)F.[Br-].[Br-].[Cl-].[Cl-].[Cl-].[I-].[I-]
• InChI: InChI=1S/C21H47N4O3.C21H22P.C15H26NO.C14H25N2O.C14H34N2O.C13H17NO6.C12H17NO3.C12H20NO2.C8H20N.C8H14O6.C5H14N.C5H12O4S.2C2HF3O2.CH4.2BrH.3ClH.2HI/c1-22-8-6-9-24(3)13-15-25(4,14-7-10-23(2)12-11-22)16-17-27-20-21-28-19-18-26-5;1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;1-5-16(6-2,7-3)12-14-8-10-15(11-9-14)13-17-4;1-5-16(6-2,7-3)11-13-9-8-10-14(15-13)12-17-4;1-7-15(2,3)12-13-16(4,5)11-9-8-10-14-17-6;1-19-5-3-2-4-6-20-9-7-10(12(15)16)14-11(8-9)13(17)18;1-16-10-2-7-13-8-5-11(6-9-13)3-4-12(14)15;1-15-11-5-9-13-8-3-2-6-12(13)7-4-10-14;1-5-9(6-2,7-3)8-4;1-13-4-5-14-3-2-6(7(9)10)8(11)12;1-5-6(2,3)4;1-9-4-2-3-5-10(6,7)8;2*3-2(4,5)1(6)7;;;;;;;;/h6-21H2,1-5H3;3-17H,2,18H2,1H3;8-11H,5-7,12-13H2,1-4H3;8-10H,5-7,11-12H2,1-4H3;7-14H2,1-6H3;7-8H,2-6H2,1H3,(H,15,16)(H,17,18);5-6,8-9H,2-4,7,10H2,1H3;2-3,6,8,14H,4-5,7,9-11H2,1H3;5-8H2,1-4H3;6H,2-5H2,1H3,(H,9,10)(H,11,12);5H2,1-4H3;2-5H2,1H3,(H,6,7,8);2*(H,6,7);1H4;7*1H/q4*+1;+2;;;2*+1;;+1;;;;;;;;;;;/p-7
• InChIKey: DXDIPIOPKAEHDQ-UHFFFAOYSA-G
• XLogP: -1.16
• TPSA: 501.78 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 29
• Rotatable Bonds: 79
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3502.95
LogP ≤ 5	-1.16
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl-[2-[5-methoxypentyl(dimethyl)azaniumyl]ethyl]-dimethylazanium;ethyl(trimethyl)azanium;methane;4-methoxybutane-1-sulfonic acid;1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,4,8,11-tetramethyl-4,8,11-triaza-1-azoniacyclotetradecane;2-[2-(2-methoxyethoxy)ethyl]propanedioic acid;4-(5-methoxypentoxy)pyridine-2,6-dicarboxylic acid;3-[1-(3-methoxypropyl)pyridin-1-ium-4-yl]propanoic acid;3-[1-(3-methoxypropyl)pyridin-1-ium-2-yl]propan-1-ol;tetraethylazanium;triethyl-[[4-(methoxymethyl)phenyl]methyl]azanium;triethyl-[[6-(methoxymethyl)-2-pyridinyl]methyl]azanium;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid;triphenyl(propyl)phosphanium;dibromide;trichloride;diiodide?

The IUPAC name of ethyl-[2-[5-methoxypentyl(dimethyl)azaniumyl]ethyl]-dimethylazanium;ethyl(trimethyl)azanium;methane;4-methoxybutane-1-sulfonic acid;1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,4,8,11-tetramethyl-4,8,11-triaza-1-azoniacyclotetradecane;2-[2-(2-methoxyethoxy)ethyl]propanedioic acid;4-(5-methoxypentoxy)pyridine-2,6-dicarboxylic acid;3-[1-(3-methoxypropyl)pyridin-1-ium-4-yl]propanoic acid;3-[1-(3-methoxypropyl)pyridin-1-ium-2-yl]propan-1-ol;tetraethylazanium;triethyl-[[4-(methoxymethyl)phenyl]methyl]azanium;triethyl-[[6-(methoxymethyl)-2-pyridinyl]methyl]azanium;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid;triphenyl(propyl)phosphanium;dibromide;trichloride;diiodide (CID 161251911) is ethyl-[2-[5-methoxypentyl(dimethyl)azaniumyl]ethyl]-dimethylazanium;ethyl(trimethyl)azanium;methane;4-methoxybutane-1-sulfonic acid;1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,4,8,11-tetramethyl-4,8,11-triaza-1-azoniacyclotetradecane;2-[2-(2-methoxyethoxy)ethyl]propanedioic acid;4-(5-methoxypentoxy)pyridine-2,6-dicarboxylic acid;3-[1-(3-methoxypropyl)pyridin-1-ium-4-yl]propanoic acid;3-[1-(3-methoxypropyl)pyridin-1-ium-2-yl]propan-1-ol;tetraethylazanium;triethyl-[[4-(methoxymethyl)phenyl]methyl]azanium;triethyl-[[6-(methoxymethyl)-2-pyridinyl]methyl]azanium;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid;triphenyl(propyl)phosphanium;dibromide;trichloride;diiodide.

What is the SMILES notation for ethyl-[2-[5-methoxypentyl(dimethyl)azaniumyl]ethyl]-dimethylazanium;ethyl(trimethyl)azanium;methane;4-methoxybutane-1-sulfonic acid;1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,4,8,11-tetramethyl-4,8,11-triaza-1-azoniacyclotetradecane;2-[2-(2-methoxyethoxy)ethyl]propanedioic acid;4-(5-methoxypentoxy)pyridine-2,6-dicarboxylic acid;3-[1-(3-methoxypropyl)pyridin-1-ium-4-yl]propanoic acid;3-[1-(3-methoxypropyl)pyridin-1-ium-2-yl]propan-1-ol;tetraethylazanium;triethyl-[[4-(methoxymethyl)phenyl]methyl]azanium;triethyl-[[6-(methoxymethyl)-2-pyridinyl]methyl]azanium;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid;triphenyl(propyl)phosphanium;dibromide;trichloride;diiodide?

The canonical SMILES for ethyl-[2-[5-methoxypentyl(dimethyl)azaniumyl]ethyl]-dimethylazanium;ethyl(trimethyl)azanium;methane;4-methoxybutane-1-sulfonic acid;1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,4,8,11-tetramethyl-4,8,11-triaza-1-azoniacyclotetradecane;2-[2-(2-methoxyethoxy)ethyl]propanedioic acid;4-(5-methoxypentoxy)pyridine-2,6-dicarboxylic acid;3-[1-(3-methoxypropyl)pyridin-1-ium-4-yl]propanoic acid;3-[1-(3-methoxypropyl)pyridin-1-ium-2-yl]propan-1-ol;tetraethylazanium;triethyl-[[4-(methoxymethyl)phenyl]methyl]azanium;triethyl-[[6-(methoxymethyl)-2-pyridinyl]methyl]azanium;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid;triphenyl(propyl)phosphanium;dibromide;trichloride;diiodide is C.CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.CC[N+](C)(C)C.CC[N+](C)(C)CC[N+](C)(C)CCCCCOC.CC[N+](CC)(CC)CC.CC[N+](CC)(CC)Cc1ccc(COC)cc1.CC[N+](CC)(CC)Cc1cccc(COC)n1.COCCCCCOc1cc(C(=O)O)nc(C(=O)O)c1.COCCCCS(=O)(=O)O.COCCC[n+]1ccc(CCC(=O)O)cc1.COCCC[n+]1ccccc1CCCO.COCCOCCC(C(=O)O)C(=O)O.COCCOCCOCC[N+]1(C)CCCN(C)CCN(C)CCCN(C)CC1.O=C(O)C(F)(F)F.O=C([O-])C(F)(F)F.[Br-].[Br-].[Cl-].[Cl-].[Cl-].[I-].[I-].

What is the InChIKey of ethyl-[2-[5-methoxypentyl(dimethyl)azaniumyl]ethyl]-dimethylazanium;ethyl(trimethyl)azanium;methane;4-methoxybutane-1-sulfonic acid;1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,4,8,11-tetramethyl-4,8,11-triaza-1-azoniacyclotetradecane;2-[2-(2-methoxyethoxy)ethyl]propanedioic acid;4-(5-methoxypentoxy)pyridine-2,6-dicarboxylic acid;3-[1-(3-methoxypropyl)pyridin-1-ium-4-yl]propanoic acid;3-[1-(3-methoxypropyl)pyridin-1-ium-2-yl]propan-1-ol;tetraethylazanium;triethyl-[[4-(methoxymethyl)phenyl]methyl]azanium;triethyl-[[6-(methoxymethyl)-2-pyridinyl]methyl]azanium;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid;triphenyl(propyl)phosphanium;dibromide;trichloride;diiodide?

The InChIKey is DXDIPIOPKAEHDQ-UHFFFAOYSA-G. The full InChI is InChI=1S/C21H47N4O3.C21H22P.C15H26NO.C14H25N2O.C14H34N2O.C13H17NO6.C12H17NO3.C12H20NO2.C8H20N.C8H14O6.C5H14N.C5H12O4S.2C2HF3O2.CH4.2BrH.3ClH.2HI/c1-22-8-6-9-24(3)13-15-25(4,14-7-10-23(2)12-11-22)16-17-27-20-21-28-19-18-26-5;1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;1-5-16(6-2,7-3)12-14-8-10-15(11-9-14)13-17-4;1-5-16(6-2,7-3)11-13-9-8-10-14(15-13)12-17-4;1-7-15(2,3)12-13-16(4,5)11-9-8-10-14-17-6;1-19-5-3-2-4-6-20-9-7-10(12(15)16)14-11(8-9)13(17)18;1-16-10-2-7-13-8-5-11(6-9-13)3-4-12(14)15;1-15-11-5-9-13-8-3-2-6-12(13)7-4-10-14;1-5-9(6-2,7-3)8-4;1-13-4-5-14-3-2-6(7(9)10)8(11)12;1-5-6(2,3)4;1-9-4-2-3-5-10(6,7)8;2*3-2(4,5)1(6)7;;;;;;;;/h6-21H2,1-5H3;3-17H,2,18H2,1H3;8-11H,5-7,12-13H2,1-4H3;8-10H,5-7,11-12H2,1-4H3;7-14H2,1-6H3;7-8H,2-6H2,1H3,(H,15,16)(H,17,18);5-6,8-9H,2-4,7,10H2,1H3;2-3,6,8,14H,4-5,7,9-11H2,1H3;5-8H2,1-4H3;6H,2-5H2,1H3,(H,9,10)(H,11,12);5H2,1-4H3;2-5H2,1H3,(H,6,7,8);2*(H,6,7);1H4;7*1H/q4*+1;+2;;;2*+1;;+1;;;;;;;;;;;/p-7.

What are the key properties of ethyl-[2-[5-methoxypentyl(dimethyl)azaniumyl]ethyl]-dimethylazanium;ethyl(trimethyl)azanium;methane;4-methoxybutane-1-sulfonic acid;1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,4,8,11-tetramethyl-4,8,11-triaza-1-azoniacyclotetradecane;2-[2-(2-methoxyethoxy)ethyl]propanedioic acid;4-(5-methoxypentoxy)pyridine-2,6-dicarboxylic acid;3-[1-(3-methoxypropyl)pyridin-1-ium-4-yl]propanoic acid;3-[1-(3-methoxypropyl)pyridin-1-ium-2-yl]propan-1-ol;tetraethylazanium;triethyl-[[4-(methoxymethyl)phenyl]methyl]azanium;triethyl-[[6-(methoxymethyl)-2-pyridinyl]methyl]azanium;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid;triphenyl(propyl)phosphanium;dibromide;trichloride;diiodide?

ethyl-[2-[5-methoxypentyl(dimethyl)azaniumyl]ethyl]-dimethylazanium;ethyl(trimethyl)azanium;methane;4-methoxybutane-1-sulfonic acid;1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,4,8,11-tetramethyl-4,8,11-triaza-1-azoniacyclotetradecane;2-[2-(2-methoxyethoxy)ethyl]propanedioic acid;4-(5-methoxypentoxy)pyridine-2,6-dicarboxylic acid;3-[1-(3-methoxypropyl)pyridin-1-ium-4-yl]propanoic acid;3-[1-(3-methoxypropyl)pyridin-1-ium-2-yl]propan-1-ol;tetraethylazanium;triethyl-[[4-(methoxymethyl)phenyl]methyl]azanium;triethyl-[[6-(methoxymethyl)-2-pyridinyl]methyl]azanium;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid;triphenyl(propyl)phosphanium;dibromide;trichloride;diiodide has a molecular weight of 3502.95 g/mol, XLogP of -1.16, 79 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl-[2-[5-methoxypentyl(dimethyl)azaniumyl]ethyl]-dimethylazanium;ethyl(trimethyl)azanium;methane;4-methoxybutane-1-sulfonic acid;1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,4,8,11-tetramethyl-4,8,11-triaza-1-azoniacyclotetradecane;2-[2-(2-methoxyethoxy)ethyl]propanedioic acid;4-(5-methoxypentoxy)pyridine-2,6-dicarboxylic acid;3-[1-(3-methoxypropyl)pyridin-1-ium-4-yl]propanoic acid;3-[1-(3-methoxypropyl)pyridin-1-ium-2-yl]propan-1-ol;tetraethylazanium;triethyl-[[4-(methoxymethyl)phenyl]methyl]azanium;triethyl-[[6-(methoxymethyl)-2-pyridinyl]methyl]azanium;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid;triphenyl(propyl)phosphanium;dibromide;trichloride;diiodide is sourced from PubChem (CID 161251911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).