XA7

TETRAHEXYL AMMONNIUM

Created:	2014-07-29
Last modified:	2014-08-27

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1 entries where XA7 is found as a standalone ligand

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Chemical Details
Formal Charge	1
Atom Count	77
Chiral Atom Count	0
Bond Count	76
Aromatic Bond Count	0

2D diagram of XA7

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Chemical Component Summary
Name	TETRAHEXYL AMMONNIUM
Systematic Name (OpenEye OEToolkits)	tetrahexylazanium
Formula	C₂₄ H₅₂ N
Molecular Weight	354.676
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(C[N+](CCCCCC)(CCCCCC)CCCCCC)CCCC
SMILES	CACTVS	3.385	CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC
SMILES	OpenEye OEToolkits	1.7.6	CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC
Canonical SMILES	CACTVS	3.385	CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC
Canonical SMILES	OpenEye OEToolkits	1.7.6	CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC
InChI	InChI	1.03	InChI=1S/C24H52N/c1-5-9-13-17-21-25(22-18-14-10-6-2,23-19-15-11-7-3)24-20-16-12-8-4/h5-24H2,1-4H3/q+1
InChIKey	InChI	1.03	DTIFFPXSSXFQCJ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	75057
ChEMBL	CHEMBL2074837

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.