HX0

N,N,N-trioctyloctan-1-aminium

Created:	2008-08-14
Last modified:	2011-06-04

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1 entries where HX0 is found as a standalone ligand

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Chemical Details
Formal Charge	1
Atom Count	101
Chiral Atom Count	0
Bond Count	100
Aromatic Bond Count	0

2D diagram of HX0

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Chemical Component Summary
Name	N,N,N-trioctyloctan-1-aminium
Systematic Name (OpenEye OEToolkits)	tetraoctylazanium
Formula	C₃₂ H₆₈ N
Molecular Weight	466.889
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	[N+](CCCCCCCC)(CCCCCCCC)(CCCCCCCC)CCCCCCCC
SMILES	CACTVS	3.341	CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC
SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC
Canonical SMILES	CACTVS	3.341	CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC
InChI	InChI	1.03	InChI=1S/C32H68N/c1-5-9-13-17-21-25-29-33(30-26-22-18-14-10-6-2,31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4/h5-32H2,1-4H3/q+1
InChIKey	InChI	1.03	CHYBTAZWINMGHA-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	2734118
ChEMBL	CHEMBL1233454

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.