butyl-ethyl-propyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;butyl-ethyl-propyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(pyridine-4-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium;triethyl-[2-(pyridine-4-carbonyloxy)ethyl]azanium;triethyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium;trimethyl-[2-(pyridine-4-carbonyloxy)ethyl]azanium;trimethyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium

C111H188N12O16S4+8 — CID 159837680

IUPACbutyl-ethyl-propyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;butyl-ethyl-propyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(pyridine-4-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium;triethyl-[2-(pyridine-4-carbonyloxy)ethyl]azanium;triethyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium;trimethyl-[2-(pyridine-4-carbonyloxy)ethyl]azanium;trimethyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium
SMILESCCCC[N+](CC)(CCC)CCOC(=O)c1ccc[nH]1.CCCC[N+](CC)(CCC)CCOC(=O)c1cccs1.CCC[N+](CC)(CCC)CCOC(=O)c1cccs1.CCC[N+](CC)(CCC)CCOC(=O)c1ccncc1.CC[N+](CC)(CC)CCOC(=O)c1cccs1.CC[N+](CC)(CC)CCOC(=O)c1ccncc1.C[N+](C)(C)CCOC(=O)c1cccs1.C[N+](C)(C)CCOC(=O)c1ccncc1
InChIInChI=1S/C16H27N2O2.C16H28N2O2.C16H28NO2S.C15H26NO2S.C14H23N2O2.C13H22NO2S.C11H17N2O2.C10H16NO2S/c1-4-11-18(6-3,12-5-2)13-14-20-16(19)15-7-9-17-10-8-15;1-4-7-12-18(6-3,11-5-2)13-14-20-16(19)15-9-8-10-17-15;1-4-7-11-17(6-3,10-5-2)12-13-19-16(18)15-9-8-14-20-15;1-4-9-16(6-3,10-5-2)11-12-18-15(17)14-8-7-13-19-14;1-4-16(5-2,6-3)11-12-18-14(17)13-7-9-15-10-8-13;1-4-14(5-2,6-3)9-10-16-13(15)12-8-7-11-17-12;1-13(2,3)8-9-15-11(14)10-4-6-12-7-5-10;1-11(2,3)6-7-13-10(12)9-5-4-8-14-9/h7-10H,4-6,11-14H2,1-3H3;8-10H,4-7,11-14H2,1-3H3;8-9,14H,4-7,10-13H2,1-3H3;7-8,13H,4-6,9-12H2,1-3H3;7-10H,4-6,11-12H2,1-3H3;7-8,11H,4-6,9-10H2,1-3H3;4-7H,8-9H2,1-3H3;4-5,8H,6-7H2,1-3H3/q+1;;6*+1/p+1
InChIKeyNOHCUTXDKQBPLC-UHFFFAOYSA-O
MW2075.06 g/mol
LogP21.08
Rot. Bonds60

About butyl-ethyl-propyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;butyl-ethyl-propyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(pyridine-4-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium;triethyl-[2-(pyridine-4-carbonyloxy)ethyl]azanium;triethyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium;trimethyl-[2-(pyridine-4-carbonyloxy)ethyl]azanium;trimethyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium

butyl-ethyl-propyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;butyl-ethyl-propyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(pyridine-4-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium;triethyl-[2-(pyridine-4-carbonyloxy)ethyl]azanium;triethyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium;trimethyl-[2-(pyridine-4-carbonyloxy)ethyl]azanium;trimethyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium (PubChem CID 159837680) has the molecular formula C111H188N12O16S4+8 and a molecular weight of 2075.06 g/mol. Its IUPAC name is butyl-ethyl-propyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;butyl-ethyl-propyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(pyridine-4-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium;triethyl-[2-(pyridine-4-carbonyloxy)ethyl]azanium;triethyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium;trimethyl-[2-(pyridine-4-carbonyloxy)ethyl]azanium;trimethyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium.

Molecular Properties

Compound Namebutyl-ethyl-propyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;butyl-ethyl-propyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(pyridine-4-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium;triethyl-[2-(pyridine-4-carbonyloxy)ethyl]azanium;triethyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium;trimethyl-[2-(pyridine-4-carbonyloxy)ethyl]azanium;trimethyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium
PubChem CID159837680
Molecular FormulaC111H188N12O16S4+8
Molecular Weight2075.06 g/mol
Exact Mass2073.31
IUPAC Namebutyl-ethyl-propyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;butyl-ethyl-propyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(pyridine-4-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium;triethyl-[2-(pyridine-4-carbonyloxy)ethyl]azanium;triethyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium;trimethyl-[2-(pyridine-4-carbonyloxy)ethyl]azanium;trimethyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium
SMILESCCCC[N+](CC)(CCC)CCOC(=O)c1ccc[nH]1.CCCC[N+](CC)(CCC)CCOC(=O)c1cccs1.CCC[N+](CC)(CCC)CCOC(=O)c1cccs1.CCC[N+](CC)(CCC)CCOC(=O)c1ccncc1.CC[N+](CC)(CC)CCOC(=O)c1cccs1.CC[N+](CC)(CC)CCOC(=O)c1ccncc1.C[N+](C)(C)CCOC(=O)c1cccs1.C[N+](C)(C)CCOC(=O)c1ccncc1
InChIInChI=1S/C16H27N2O2.C16H28N2O2.C16H28NO2S.C15H26NO2S.C14H23N2O2.C13H22NO2S.C11H17N2O2.C10H16NO2S/c1-4-11-18(6-3,12-5-2)13-14-20-16(19)15-7-9-17-10-8-15;1-4-7-12-18(6-3,11-5-2)13-14-20-16(19)15-9-8-10-17-15;1-4-7-11-17(6-3,10-5-2)12-13-19-16(18)15-9-8-14-20-15;1-4-9-16(6-3,10-5-2)11-12-18-15(17)14-8-7-13-19-14;1-4-16(5-2,6-3)11-12-18-14(17)13-7-9-15-10-8-13;1-4-14(5-2,6-3)9-10-16-13(15)12-8-7-11-17-12;1-13(2,3)8-9-15-11(14)10-4-6-12-7-5-10;1-11(2,3)6-7-13-10(12)9-5-4-8-14-9/h7-10H,4-6,11-14H2,1-3H3;8-10H,4-7,11-14H2,1-3H3;8-9,14H,4-7,10-13H2,1-3H3;7-8,13H,4-6,9-12H2,1-3H3;7-10H,4-6,11-12H2,1-3H3;7-8,11H,4-6,9-10H2,1-3H3;4-7H,8-9H2,1-3H3;4-5,8H,6-7H2,1-3H3/q+1;;6*+1/p+1
InChIKeyNOHCUTXDKQBPLC-UHFFFAOYSA-O
XLogP21.08
TPSA264.86 Ų
H-Bond Donors1
H-Bond Acceptors23
Rotatable Bonds60
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002075.06
LogP ≤ 521.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze butyl-ethyl-propyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;butyl-ethyl-propyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(pyridine-4-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium;triethyl-[2-(pyridine-4-carbonyloxy)ethyl]azanium;triethyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium;trimethyl-[2-(pyridine-4-carbonyloxy)ethyl]azanium;trimethyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium with MolForge

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Frequently Asked Questions

What is the IUPAC name of butyl-ethyl-propyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;butyl-ethyl-propyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(pyridine-4-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium;triethyl-[2-(pyridine-4-carbonyloxy)ethyl]azanium;triethyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium;trimethyl-[2-(pyridine-4-carbonyloxy)ethyl]azanium;trimethyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium?
The IUPAC name of butyl-ethyl-propyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;butyl-ethyl-propyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(pyridine-4-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium;triethyl-[2-(pyridine-4-carbonyloxy)ethyl]azanium;triethyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium;trimethyl-[2-(pyridine-4-carbonyloxy)ethyl]azanium;trimethyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium (CID 159837680) is butyl-ethyl-propyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;butyl-ethyl-propyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(pyridine-4-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium;triethyl-[2-(pyridine-4-carbonyloxy)ethyl]azanium;triethyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium;trimethyl-[2-(pyridine-4-carbonyloxy)ethyl]azanium;trimethyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium.
What is the SMILES notation for butyl-ethyl-propyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;butyl-ethyl-propyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(pyridine-4-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium;triethyl-[2-(pyridine-4-carbonyloxy)ethyl]azanium;triethyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium;trimethyl-[2-(pyridine-4-carbonyloxy)ethyl]azanium;trimethyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium?
The canonical SMILES for butyl-ethyl-propyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;butyl-ethyl-propyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(pyridine-4-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium;triethyl-[2-(pyridine-4-carbonyloxy)ethyl]azanium;triethyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium;trimethyl-[2-(pyridine-4-carbonyloxy)ethyl]azanium;trimethyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium is CCCC[N+](CC)(CCC)CCOC(=O)c1ccc[nH]1.CCCC[N+](CC)(CCC)CCOC(=O)c1cccs1.CCC[N+](CC)(CCC)CCOC(=O)c1cccs1.CCC[N+](CC)(CCC)CCOC(=O)c1ccncc1.CC[N+](CC)(CC)CCOC(=O)c1cccs1.CC[N+](CC)(CC)CCOC(=O)c1ccncc1.C[N+](C)(C)CCOC(=O)c1cccs1.C[N+](C)(C)CCOC(=O)c1ccncc1.
What is the InChIKey of butyl-ethyl-propyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;butyl-ethyl-propyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(pyridine-4-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium;triethyl-[2-(pyridine-4-carbonyloxy)ethyl]azanium;triethyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium;trimethyl-[2-(pyridine-4-carbonyloxy)ethyl]azanium;trimethyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium?
The InChIKey is NOHCUTXDKQBPLC-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H27N2O2.C16H28N2O2.C16H28NO2S.C15H26NO2S.C14H23N2O2.C13H22NO2S.C11H17N2O2.C10H16NO2S/c1-4-11-18(6-3,12-5-2)13-14-20-16(19)15-7-9-17-10-8-15;1-4-7-12-18(6-3,11-5-2)13-14-20-16(19)15-9-8-10-17-15;1-4-7-11-17(6-3,10-5-2)12-13-19-16(18)15-9-8-14-20-15;1-4-9-16(6-3,10-5-2)11-12-18-15(17)14-8-7-13-19-14;1-4-16(5-2,6-3)11-12-18-14(17)13-7-9-15-10-8-13;1-4-14(5-2,6-3)9-10-16-13(15)12-8-7-11-17-12;1-13(2,3)8-9-15-11(14)10-4-6-12-7-5-10;1-11(2,3)6-7-13-10(12)9-5-4-8-14-9/h7-10H,4-6,11-14H2,1-3H3;8-10H,4-7,11-14H2,1-3H3;8-9,14H,4-7,10-13H2,1-3H3;7-8,13H,4-6,9-12H2,1-3H3;7-10H,4-6,11-12H2,1-3H3;7-8,11H,4-6,9-10H2,1-3H3;4-7H,8-9H2,1-3H3;4-5,8H,6-7H2,1-3H3/q+1;;6*+1/p+1.
What are the key properties of butyl-ethyl-propyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;butyl-ethyl-propyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(pyridine-4-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium;triethyl-[2-(pyridine-4-carbonyloxy)ethyl]azanium;triethyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium;trimethyl-[2-(pyridine-4-carbonyloxy)ethyl]azanium;trimethyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium?
butyl-ethyl-propyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;butyl-ethyl-propyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(pyridine-4-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium;triethyl-[2-(pyridine-4-carbonyloxy)ethyl]azanium;triethyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium;trimethyl-[2-(pyridine-4-carbonyloxy)ethyl]azanium;trimethyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium has a molecular weight of 2075.06 g/mol, XLogP of 21.08, 60 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-ethyl-propyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;butyl-ethyl-propyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(pyridine-4-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium;triethyl-[2-(pyridine-4-carbonyloxy)ethyl]azanium;triethyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium;trimethyl-[2-(pyridine-4-carbonyloxy)ethyl]azanium;trimethyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium is sourced from PubChem (CID 159837680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).