LWL

N,N,N-trimethyl-2-oxo-2-(2-(pyridin-2-ylmethylene)hydrazineyl)ethan-1-aminium

Created:	2022-07-15
Last modified:	2023-06-14

Find Related PDB Entry
2 entries where LWL 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	33
Aromatic Bond Count	6

2D diagram of LWL

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	N,N,N-trimethyl-2-oxo-2-(2-(pyridin-2-ylmethylene)hydrazineyl)ethan-1-aminium
Synonyms	~{N}-[(~{E})-pyridin-2-ylmethylideneamino]-2-(trimethyl-$l^{4}-azanyl)ethanamide
Systematic Name (OpenEye OEToolkits)	trimethyl-[2-oxidanylidene-2-[(2~{E})-2-(pyridin-2-ylmethylidene)hydrazinyl]ethyl]azanium
Formula	C₁₁ H₁₇ N₄ O
Molecular Weight	221.279
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	C[N+](C)(C)CC(=O)NN=Cc1ccccn1
SMILES	OpenEye OEToolkits	2.0.7	C[N+](C)(C)CC(=O)NN=Cc1ccccn1
Canonical SMILES	CACTVS	3.385	C[N+](C)(C)CC(=O)N/N=C/c1ccccn1
Canonical SMILES	OpenEye OEToolkits	2.0.7	C[N+](C)(C)CC(=O)N/N=C/c1ccccn1
InChI	InChI	1.06	InChI=1S/C11H16N4O/c1-15(2,3)9-11(16)14-13-8-10-6-4-5-7-12-10/h4-8H,9H2,1-3H3/p+1
InChIKey	InChI	1.06	DQSNXLQZLFKDAM-UHFFFAOYSA-O

Related Resource References

Resource Name	Reference
PubChem	101524264, 117061078, 137320192

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.