DR0

N-(HYDROXYMETHYL)-N,N-DIMETHYLHEXAN-1-AMINIUM

Created:	2005-10-07
Last modified:	2011-06-04

Find Related PDB Entry
2 entries where DR0 is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	1
Atom Count	33
Chiral Atom Count	0
Bond Count	32
Aromatic Bond Count	0

2D diagram of DR0

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	N-(HYDROXYMETHYL)-N,N-DIMETHYLHEXAN-1-AMINIUM
Systematic Name (OpenEye OEToolkits)	hexyl-(hydroxymethyl)-dimethyl-azanium
Formula	C₉ H₂₂ N O
Molecular Weight	160.277
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	OC[N+](CCCCCC)(C)C
SMILES	CACTVS	3.341	CCCCCC[N+](C)(C)CO
SMILES	OpenEye OEToolkits	1.5.0	CCCCCC[N+](C)(C)CO
Canonical SMILES	CACTVS	3.341	CCCCCC[N+](C)(C)CO
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCCC[N+](C)(C)CO
InChI	InChI	1.03	InChI=1S/C9H22NO/c1-4-5-6-7-8-10(2,3)9-11/h11H,4-9H2,1-3H3/q+1
InChIKey	InChI	1.03	HSCKPPPLTPBXED-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	10062716

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.