ethyl(trimethyl)azanium;ethyl(triphenyl)phosphanium;methane;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;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid;dibromide;iodide

C98H154Br2F6IN6O22P+2 — CID 160686298

About ethyl(trimethyl)azanium;ethyl(triphenyl)phosphanium;methane;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;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid;dibromide;iodide

ethyl(trimethyl)azanium;ethyl(triphenyl)phosphanium;methane;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;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid;dibromide;iodide (PubChem CID 160686298) has the molecular formula C98H154Br2F6IN6O22P+2 and a molecular weight of 2200.00 g/mol. Its IUPAC name is ethyl(trimethyl)azanium;ethyl(triphenyl)phosphanium;methane;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;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid;dibromide;iodide.

Molecular Properties

• Compound Name: ethyl(trimethyl)azanium;ethyl(triphenyl)phosphanium;methane;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;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid;dibromide;iodide
• PubChem CID: 160686298
• Molecular Formula: C98H154Br2F6IN6O22P+2
• Molecular Weight: 2200.00 g/mol
• Exact Mass: 2196.82
• IUPAC Name: ethyl(trimethyl)azanium;ethyl(triphenyl)phosphanium;methane;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;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid;dibromide;iodide
• SMILES: C.CC[N+](C)(C)C.CC[N+](CC)(CC)CC.CC[N+](CC)(CC)Cc1ccc(COC)cc1.CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.COCCCCCOc1cc(C(=O)O)nc(C(=O)O)c1.COCCC[n+]1ccc(CCC(=O)O)cc1.COCCC[n+]1ccccc1CCCO.COCCOCCC(C(=O)O)C(=O)O.O=C(O)C(F)(F)F.O=C([O-])C(F)(F)F.[Br-].[Br-].[I-]
• InChI: InChI=1S/C20H20P.C15H26NO.C13H17NO6.C12H17NO3.C12H20NO2.C8H20N.C8H14O6.C5H14N.2C2HF3O2.CH4.2BrH.HI/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;1-5-16(6-2,7-3)12-14-8-10-15(11-9-14)13-17-4;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;2*3-2(4,5)1(6)7;;;;/h3-17H,2H2,1H3;8-11H,5-7,12-13H2,1-4H3;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*(H,6,7);1H4;3*1H/q2*+1;;;2*+1;;+1;;;;;;/p-3
• InChIKey: HVRGMRSXECXWJQ-UHFFFAOYSA-K
• XLogP: 4.85
• TPSA: 369.42 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 17
• Rotatable Bonds: 47
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2200.00
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	17

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(trimethyl)azanium;ethyl(triphenyl)phosphanium;methane;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;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid;dibromide;iodide?

The IUPAC name of ethyl(trimethyl)azanium;ethyl(triphenyl)phosphanium;methane;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;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid;dibromide;iodide (CID 160686298) is ethyl(trimethyl)azanium;ethyl(triphenyl)phosphanium;methane;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;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid;dibromide;iodide.

What is the SMILES notation for ethyl(trimethyl)azanium;ethyl(triphenyl)phosphanium;methane;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;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid;dibromide;iodide?

The canonical SMILES for ethyl(trimethyl)azanium;ethyl(triphenyl)phosphanium;methane;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;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid;dibromide;iodide is C.CC[N+](C)(C)C.CC[N+](CC)(CC)CC.CC[N+](CC)(CC)Cc1ccc(COC)cc1.CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.COCCCCCOc1cc(C(=O)O)nc(C(=O)O)c1.COCCC[n+]1ccc(CCC(=O)O)cc1.COCCC[n+]1ccccc1CCCO.COCCOCCC(C(=O)O)C(=O)O.O=C(O)C(F)(F)F.O=C([O-])C(F)(F)F.[Br-].[Br-].[I-].

What is the InChIKey of ethyl(trimethyl)azanium;ethyl(triphenyl)phosphanium;methane;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;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid;dibromide;iodide?

The InChIKey is HVRGMRSXECXWJQ-UHFFFAOYSA-K. The full InChI is InChI=1S/C20H20P.C15H26NO.C13H17NO6.C12H17NO3.C12H20NO2.C8H20N.C8H14O6.C5H14N.2C2HF3O2.CH4.2BrH.HI/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;1-5-16(6-2,7-3)12-14-8-10-15(11-9-14)13-17-4;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;2*3-2(4,5)1(6)7;;;;/h3-17H,2H2,1H3;8-11H,5-7,12-13H2,1-4H3;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*(H,6,7);1H4;3*1H/q2*+1;;;2*+1;;+1;;;;;;/p-3.

What are the key properties of ethyl(trimethyl)azanium;ethyl(triphenyl)phosphanium;methane;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;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid;dibromide;iodide?

ethyl(trimethyl)azanium;ethyl(triphenyl)phosphanium;methane;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;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid;dibromide;iodide has a molecular weight of 2200.00 g/mol, XLogP of 4.85, 47 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl(trimethyl)azanium;ethyl(triphenyl)phosphanium;methane;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;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid;dibromide;iodide is sourced from PubChem (CID 160686298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).