DR8

N,N,N-TRIMETHYLHEPTA-1,3,5-TRIYN-1-AMINIUM

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

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2 entries where DR8 is found as a standalone ligand

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Chemical Details
Formal Charge	1
Atom Count	23
Chiral Atom Count	0
Bond Count	22
Aromatic Bond Count	0

2D diagram of DR8

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Chemical Component Summary
Name	N,N,N-TRIMETHYLHEPTA-1,3,5-TRIYN-1-AMINIUM
Systematic Name (OpenEye OEToolkits)	hepta-1,3,5-triynyl-trimethyl-azanium
Formula	C₁₀ H₁₂ N
Molecular Weight	146.209
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	C(C#CC#C[N+](C)(C)C)#CC
SMILES	CACTVS	3.341	CC#CC#CC#C[N+](C)(C)C
SMILES	OpenEye OEToolkits	1.5.0	CC#CC#CC#C[N+](C)(C)C
Canonical SMILES	CACTVS	3.341	CC#CC#CC#C[N+](C)(C)C
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC#CC#CC#C[N+](C)(C)C
InChI	InChI	1.03	InChI=1S/C10H12N/c1-5-6-7-8-9-10-11(2,3)4/h1-4H3/q+1
InChIKey	InChI	1.03	AKYJILYZPCHMQA-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	9547897

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.