bis(2-benzoyloxyethyl(trimethyl)azanium);butyl-[2-(dimethylcarbamoylsulfanyl)ethyl]-ethyl-propylazanium;butyl-ethyl-[2-(methylcarbamoylsulfanyl)ethyl]-propylazanium;2-(dimethylcarbamoylsulfanyl)ethyl-ethyl-dipropylazanium;2-(dimethylcarbamoylsulfanyl)ethyl-triethylazanium;2-(dimethylcarbamoylsulfanyl)ethyl-trimethylazanium;ethane;ethyl-[2-(methylcarbamoylsulfanyl)ethyl]-dipropylazanium;triethyl-[2-(methylcarbamoylsulfanyl)ethyl]azanium;trimethyl-[2-(methylcarbamoylsulfanyl)ethyl]azanium

C118H254N18O12S8+10 — CID 160653469

IUPACbis(2-benzoyloxyethyl(trimethyl)azanium);butyl-[2-(dimethylcarbamoylsulfanyl)ethyl]-ethyl-propylazanium;butyl-ethyl-[2-(methylcarbamoylsulfanyl)ethyl]-propylazanium;2-(dimethylcarbamoylsulfanyl)ethyl-ethyl-dipropylazanium;2-(dimethylcarbamoylsulfanyl)ethyl-triethylazanium;2-(dimethylcarbamoylsulfanyl)ethyl-trimethylazanium;ethane;ethyl-[2-(methylcarbamoylsulfanyl)ethyl]-dipropylazanium;triethyl-[2-(methylcarbamoylsulfanyl)ethyl]azanium;trimethyl-[2-(methylcarbamoylsulfanyl)ethyl]azanium
SMILESCC.CC.CC.CCCC[N+](CC)(CCC)CCSC(=O)N(C)C.CCCC[N+](CC)(CCC)CCSC(=O)NC.CCC[N+](CC)(CCC)CCSC(=O)N(C)C.CCC[N+](CC)(CCC)CCSC(=O)NC.CC[N+](CC)(CC)CCSC(=O)N(C)C.CC[N+](CC)(CC)CCSC(=O)NC.CN(C)C(=O)SCC[N+](C)(C)C.CNC(=O)SCC[N+](C)(C)C.C[N+](C)(C)CCOC(=O)c1ccccc1.C[N+](C)(C)CCOC(=O)c1ccccc1
InChIInChI=1S/C14H31N2OS.C13H29N2OS.C13H28N2OS.C12H26N2OS.2C12H18NO2.C11H25N2OS.C10H22N2OS.C8H19N2OS.C7H16N2OS.3C2H6/c1-6-9-11-16(8-3,10-7-2)12-13-18-14(17)15(4)5;1-6-9-15(8-3,10-7-2)11-12-17-13(16)14(4)5;1-5-8-10-15(7-3,9-6-2)11-12-17-13(16)14-4;1-5-8-14(7-3,9-6-2)10-11-16-12(15)13-4;2*1-13(2,3)9-10-15-12(14)11-7-5-4-6-8-11;1-6-13(7-2,8-3)9-10-15-11(14)12(4)5;1-5-12(6-2,7-3)8-9-14-10(13)11-4;1-9(2)8(11)12-7-6-10(3,4)5;1-8-7(10)11-6-5-9(2,3)4;3*1-2/h6-13H2,1-5H3;6-12H2,1-5H3;5-12H2,1-4H3;5-11H2,1-4H3;2*4-8H,9-10H2,1-3H3;6-10H2,1-5H3;5-9H2,1-4H3;6-7H2,1-5H3;5-6H2,1-4H3;3*1-2H3/q2*+1;;;3*+1;;+1;;;;/p+4
InChIKeyRKSOELXIWSIMLC-UHFFFAOYSA-R
MW2373.98 g/mol
LogP24.59
Rot. Bonds60

About bis(2-benzoyloxyethyl(trimethyl)azanium);butyl-[2-(dimethylcarbamoylsulfanyl)ethyl]-ethyl-propylazanium;butyl-ethyl-[2-(methylcarbamoylsulfanyl)ethyl]-propylazanium;2-(dimethylcarbamoylsulfanyl)ethyl-ethyl-dipropylazanium;2-(dimethylcarbamoylsulfanyl)ethyl-triethylazanium;2-(dimethylcarbamoylsulfanyl)ethyl-trimethylazanium;ethane;ethyl-[2-(methylcarbamoylsulfanyl)ethyl]-dipropylazanium;triethyl-[2-(methylcarbamoylsulfanyl)ethyl]azanium;trimethyl-[2-(methylcarbamoylsulfanyl)ethyl]azanium

bis(2-benzoyloxyethyl(trimethyl)azanium);butyl-[2-(dimethylcarbamoylsulfanyl)ethyl]-ethyl-propylazanium;butyl-ethyl-[2-(methylcarbamoylsulfanyl)ethyl]-propylazanium;2-(dimethylcarbamoylsulfanyl)ethyl-ethyl-dipropylazanium;2-(dimethylcarbamoylsulfanyl)ethyl-triethylazanium;2-(dimethylcarbamoylsulfanyl)ethyl-trimethylazanium;ethane;ethyl-[2-(methylcarbamoylsulfanyl)ethyl]-dipropylazanium;triethyl-[2-(methylcarbamoylsulfanyl)ethyl]azanium;trimethyl-[2-(methylcarbamoylsulfanyl)ethyl]azanium (PubChem CID 160653469) has the molecular formula C118H254N18O12S8+10 and a molecular weight of 2373.98 g/mol. Its IUPAC name is bis(2-benzoyloxyethyl(trimethyl)azanium);butyl-[2-(dimethylcarbamoylsulfanyl)ethyl]-ethyl-propylazanium;butyl-ethyl-[2-(methylcarbamoylsulfanyl)ethyl]-propylazanium;2-(dimethylcarbamoylsulfanyl)ethyl-ethyl-dipropylazanium;2-(dimethylcarbamoylsulfanyl)ethyl-triethylazanium;2-(dimethylcarbamoylsulfanyl)ethyl-trimethylazanium;ethane;ethyl-[2-(methylcarbamoylsulfanyl)ethyl]-dipropylazanium;triethyl-[2-(methylcarbamoylsulfanyl)ethyl]azanium;trimethyl-[2-(methylcarbamoylsulfanyl)ethyl]azanium.

Molecular Properties

Compound Namebis(2-benzoyloxyethyl(trimethyl)azanium);butyl-[2-(dimethylcarbamoylsulfanyl)ethyl]-ethyl-propylazanium;butyl-ethyl-[2-(methylcarbamoylsulfanyl)ethyl]-propylazanium;2-(dimethylcarbamoylsulfanyl)ethyl-ethyl-dipropylazanium;2-(dimethylcarbamoylsulfanyl)ethyl-triethylazanium;2-(dimethylcarbamoylsulfanyl)ethyl-trimethylazanium;ethane;ethyl-[2-(methylcarbamoylsulfanyl)ethyl]-dipropylazanium;triethyl-[2-(methylcarbamoylsulfanyl)ethyl]azanium;trimethyl-[2-(methylcarbamoylsulfanyl)ethyl]azanium
PubChem CID160653469
Molecular FormulaC118H254N18O12S8+10
Molecular Weight2373.98 g/mol
Exact Mass2371.75
IUPAC Namebis(2-benzoyloxyethyl(trimethyl)azanium);butyl-[2-(dimethylcarbamoylsulfanyl)ethyl]-ethyl-propylazanium;butyl-ethyl-[2-(methylcarbamoylsulfanyl)ethyl]-propylazanium;2-(dimethylcarbamoylsulfanyl)ethyl-ethyl-dipropylazanium;2-(dimethylcarbamoylsulfanyl)ethyl-triethylazanium;2-(dimethylcarbamoylsulfanyl)ethyl-trimethylazanium;ethane;ethyl-[2-(methylcarbamoylsulfanyl)ethyl]-dipropylazanium;triethyl-[2-(methylcarbamoylsulfanyl)ethyl]azanium;trimethyl-[2-(methylcarbamoylsulfanyl)ethyl]azanium
SMILESCC.CC.CC.CCCC[N+](CC)(CCC)CCSC(=O)N(C)C.CCCC[N+](CC)(CCC)CCSC(=O)NC.CCC[N+](CC)(CCC)CCSC(=O)N(C)C.CCC[N+](CC)(CCC)CCSC(=O)NC.CC[N+](CC)(CC)CCSC(=O)N(C)C.CC[N+](CC)(CC)CCSC(=O)NC.CN(C)C(=O)SCC[N+](C)(C)C.CNC(=O)SCC[N+](C)(C)C.C[N+](C)(C)CCOC(=O)c1ccccc1.C[N+](C)(C)CCOC(=O)c1ccccc1
InChIInChI=1S/C14H31N2OS.C13H29N2OS.C13H28N2OS.C12H26N2OS.2C12H18NO2.C11H25N2OS.C10H22N2OS.C8H19N2OS.C7H16N2OS.3C2H6/c1-6-9-11-16(8-3,10-7-2)12-13-18-14(17)15(4)5;1-6-9-15(8-3,10-7-2)11-12-17-13(16)14(4)5;1-5-8-10-15(7-3,9-6-2)11-12-17-13(16)14-4;1-5-8-14(7-3,9-6-2)10-11-16-12(15)13-4;2*1-13(2,3)9-10-15-12(14)11-7-5-4-6-8-11;1-6-13(7-2,8-3)9-10-15-11(14)12(4)5;1-5-12(6-2,7-3)8-9-14-10(13)11-4;1-9(2)8(11)12-7-6-10(3,4)5;1-8-7(10)11-6-5-9(2,3)4;3*1-2/h6-13H2,1-5H3;6-12H2,1-5H3;5-12H2,1-4H3;5-11H2,1-4H3;2*4-8H,9-10H2,1-3H3;6-10H2,1-5H3;5-9H2,1-4H3;6-7H2,1-5H3;5-6H2,1-4H3;3*1-2H3/q2*+1;;;3*+1;;+1;;;;/p+4
InChIKeyRKSOELXIWSIMLC-UHFFFAOYSA-R
XLogP24.59
TPSA250.24 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds60
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002373.98
LogP ≤ 524.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze bis(2-benzoyloxyethyl(trimethyl)azanium);butyl-[2-(dimethylcarbamoylsulfanyl)ethyl]-ethyl-propylazanium;butyl-ethyl-[2-(methylcarbamoylsulfanyl)ethyl]-propylazanium;2-(dimethylcarbamoylsulfanyl)ethyl-ethyl-dipropylazanium;2-(dimethylcarbamoylsulfanyl)ethyl-triethylazanium;2-(dimethylcarbamoylsulfanyl)ethyl-trimethylazanium;ethane;ethyl-[2-(methylcarbamoylsulfanyl)ethyl]-dipropylazanium;triethyl-[2-(methylcarbamoylsulfanyl)ethyl]azanium;trimethyl-[2-(methylcarbamoylsulfanyl)ethyl]azanium with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(2-benzoyloxyethyl(trimethyl)azanium);butyl-[2-(dimethylcarbamoylsulfanyl)ethyl]-ethyl-propylazanium;butyl-ethyl-[2-(methylcarbamoylsulfanyl)ethyl]-propylazanium;2-(dimethylcarbamoylsulfanyl)ethyl-ethyl-dipropylazanium;2-(dimethylcarbamoylsulfanyl)ethyl-triethylazanium;2-(dimethylcarbamoylsulfanyl)ethyl-trimethylazanium;ethane;ethyl-[2-(methylcarbamoylsulfanyl)ethyl]-dipropylazanium;triethyl-[2-(methylcarbamoylsulfanyl)ethyl]azanium;trimethyl-[2-(methylcarbamoylsulfanyl)ethyl]azanium?
The IUPAC name of bis(2-benzoyloxyethyl(trimethyl)azanium);butyl-[2-(dimethylcarbamoylsulfanyl)ethyl]-ethyl-propylazanium;butyl-ethyl-[2-(methylcarbamoylsulfanyl)ethyl]-propylazanium;2-(dimethylcarbamoylsulfanyl)ethyl-ethyl-dipropylazanium;2-(dimethylcarbamoylsulfanyl)ethyl-triethylazanium;2-(dimethylcarbamoylsulfanyl)ethyl-trimethylazanium;ethane;ethyl-[2-(methylcarbamoylsulfanyl)ethyl]-dipropylazanium;triethyl-[2-(methylcarbamoylsulfanyl)ethyl]azanium;trimethyl-[2-(methylcarbamoylsulfanyl)ethyl]azanium (CID 160653469) is bis(2-benzoyloxyethyl(trimethyl)azanium);butyl-[2-(dimethylcarbamoylsulfanyl)ethyl]-ethyl-propylazanium;butyl-ethyl-[2-(methylcarbamoylsulfanyl)ethyl]-propylazanium;2-(dimethylcarbamoylsulfanyl)ethyl-ethyl-dipropylazanium;2-(dimethylcarbamoylsulfanyl)ethyl-triethylazanium;2-(dimethylcarbamoylsulfanyl)ethyl-trimethylazanium;ethane;ethyl-[2-(methylcarbamoylsulfanyl)ethyl]-dipropylazanium;triethyl-[2-(methylcarbamoylsulfanyl)ethyl]azanium;trimethyl-[2-(methylcarbamoylsulfanyl)ethyl]azanium.
What is the SMILES notation for bis(2-benzoyloxyethyl(trimethyl)azanium);butyl-[2-(dimethylcarbamoylsulfanyl)ethyl]-ethyl-propylazanium;butyl-ethyl-[2-(methylcarbamoylsulfanyl)ethyl]-propylazanium;2-(dimethylcarbamoylsulfanyl)ethyl-ethyl-dipropylazanium;2-(dimethylcarbamoylsulfanyl)ethyl-triethylazanium;2-(dimethylcarbamoylsulfanyl)ethyl-trimethylazanium;ethane;ethyl-[2-(methylcarbamoylsulfanyl)ethyl]-dipropylazanium;triethyl-[2-(methylcarbamoylsulfanyl)ethyl]azanium;trimethyl-[2-(methylcarbamoylsulfanyl)ethyl]azanium?
The canonical SMILES for bis(2-benzoyloxyethyl(trimethyl)azanium);butyl-[2-(dimethylcarbamoylsulfanyl)ethyl]-ethyl-propylazanium;butyl-ethyl-[2-(methylcarbamoylsulfanyl)ethyl]-propylazanium;2-(dimethylcarbamoylsulfanyl)ethyl-ethyl-dipropylazanium;2-(dimethylcarbamoylsulfanyl)ethyl-triethylazanium;2-(dimethylcarbamoylsulfanyl)ethyl-trimethylazanium;ethane;ethyl-[2-(methylcarbamoylsulfanyl)ethyl]-dipropylazanium;triethyl-[2-(methylcarbamoylsulfanyl)ethyl]azanium;trimethyl-[2-(methylcarbamoylsulfanyl)ethyl]azanium is CC.CC.CC.CCCC[N+](CC)(CCC)CCSC(=O)N(C)C.CCCC[N+](CC)(CCC)CCSC(=O)NC.CCC[N+](CC)(CCC)CCSC(=O)N(C)C.CCC[N+](CC)(CCC)CCSC(=O)NC.CC[N+](CC)(CC)CCSC(=O)N(C)C.CC[N+](CC)(CC)CCSC(=O)NC.CN(C)C(=O)SCC[N+](C)(C)C.CNC(=O)SCC[N+](C)(C)C.C[N+](C)(C)CCOC(=O)c1ccccc1.C[N+](C)(C)CCOC(=O)c1ccccc1.
What is the InChIKey of bis(2-benzoyloxyethyl(trimethyl)azanium);butyl-[2-(dimethylcarbamoylsulfanyl)ethyl]-ethyl-propylazanium;butyl-ethyl-[2-(methylcarbamoylsulfanyl)ethyl]-propylazanium;2-(dimethylcarbamoylsulfanyl)ethyl-ethyl-dipropylazanium;2-(dimethylcarbamoylsulfanyl)ethyl-triethylazanium;2-(dimethylcarbamoylsulfanyl)ethyl-trimethylazanium;ethane;ethyl-[2-(methylcarbamoylsulfanyl)ethyl]-dipropylazanium;triethyl-[2-(methylcarbamoylsulfanyl)ethyl]azanium;trimethyl-[2-(methylcarbamoylsulfanyl)ethyl]azanium?
The InChIKey is RKSOELXIWSIMLC-UHFFFAOYSA-R. The full InChI is InChI=1S/C14H31N2OS.C13H29N2OS.C13H28N2OS.C12H26N2OS.2C12H18NO2.C11H25N2OS.C10H22N2OS.C8H19N2OS.C7H16N2OS.3C2H6/c1-6-9-11-16(8-3,10-7-2)12-13-18-14(17)15(4)5;1-6-9-15(8-3,10-7-2)11-12-17-13(16)14(4)5;1-5-8-10-15(7-3,9-6-2)11-12-17-13(16)14-4;1-5-8-14(7-3,9-6-2)10-11-16-12(15)13-4;2*1-13(2,3)9-10-15-12(14)11-7-5-4-6-8-11;1-6-13(7-2,8-3)9-10-15-11(14)12(4)5;1-5-12(6-2,7-3)8-9-14-10(13)11-4;1-9(2)8(11)12-7-6-10(3,4)5;1-8-7(10)11-6-5-9(2,3)4;3*1-2/h6-13H2,1-5H3;6-12H2,1-5H3;5-12H2,1-4H3;5-11H2,1-4H3;2*4-8H,9-10H2,1-3H3;6-10H2,1-5H3;5-9H2,1-4H3;6-7H2,1-5H3;5-6H2,1-4H3;3*1-2H3/q2*+1;;;3*+1;;+1;;;;/p+4.
What are the key properties of bis(2-benzoyloxyethyl(trimethyl)azanium);butyl-[2-(dimethylcarbamoylsulfanyl)ethyl]-ethyl-propylazanium;butyl-ethyl-[2-(methylcarbamoylsulfanyl)ethyl]-propylazanium;2-(dimethylcarbamoylsulfanyl)ethyl-ethyl-dipropylazanium;2-(dimethylcarbamoylsulfanyl)ethyl-triethylazanium;2-(dimethylcarbamoylsulfanyl)ethyl-trimethylazanium;ethane;ethyl-[2-(methylcarbamoylsulfanyl)ethyl]-dipropylazanium;triethyl-[2-(methylcarbamoylsulfanyl)ethyl]azanium;trimethyl-[2-(methylcarbamoylsulfanyl)ethyl]azanium?
bis(2-benzoyloxyethyl(trimethyl)azanium);butyl-[2-(dimethylcarbamoylsulfanyl)ethyl]-ethyl-propylazanium;butyl-ethyl-[2-(methylcarbamoylsulfanyl)ethyl]-propylazanium;2-(dimethylcarbamoylsulfanyl)ethyl-ethyl-dipropylazanium;2-(dimethylcarbamoylsulfanyl)ethyl-triethylazanium;2-(dimethylcarbamoylsulfanyl)ethyl-trimethylazanium;ethane;ethyl-[2-(methylcarbamoylsulfanyl)ethyl]-dipropylazanium;triethyl-[2-(methylcarbamoylsulfanyl)ethyl]azanium;trimethyl-[2-(methylcarbamoylsulfanyl)ethyl]azanium has a molecular weight of 2373.98 g/mol, XLogP of 24.59, 60 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-benzoyloxyethyl(trimethyl)azanium);butyl-[2-(dimethylcarbamoylsulfanyl)ethyl]-ethyl-propylazanium;butyl-ethyl-[2-(methylcarbamoylsulfanyl)ethyl]-propylazanium;2-(dimethylcarbamoylsulfanyl)ethyl-ethyl-dipropylazanium;2-(dimethylcarbamoylsulfanyl)ethyl-triethylazanium;2-(dimethylcarbamoylsulfanyl)ethyl-trimethylazanium;ethane;ethyl-[2-(methylcarbamoylsulfanyl)ethyl]-dipropylazanium;triethyl-[2-(methylcarbamoylsulfanyl)ethyl]azanium;trimethyl-[2-(methylcarbamoylsulfanyl)ethyl]azanium is sourced from PubChem (CID 160653469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).