JWX

(1R)-N-[(1H-indol-3-yl)methyl]-N-methyl-1-(naphthalen-1-yl)ethan-1-amine

Created:	2021-08-30
Last modified:	2021-09-08

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2 entries where JWX is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	46
Chiral Atom Count	1
Bond Count	49
Aromatic Bond Count	21

2D diagram of JWX

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Chemical Component Summary
Name	(1R)-N-[(1H-indol-3-yl)methyl]-N-methyl-1-(naphthalen-1-yl)ethan-1-amine
Systematic Name (OpenEye OEToolkits)	(1~{R})-~{N}-(1~{H}-indol-3-ylmethyl)-~{N}-methyl-1-naphthalen-1-yl-ethanamine
Formula	C₂₂ H₂₂ N₂
Molecular Weight	314.423
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CC(c1cccc2ccccc21)N(C)Cc1c[NH]c2ccccc21
SMILES	CACTVS	3.385	C[CH](N(C)Cc1c[nH]c2ccccc12)c3cccc4ccccc34
SMILES	OpenEye OEToolkits	2.0.7	CC(c1cccc2c1cccc2)N(C)Cc3c[nH]c4c3cccc4
Canonical SMILES	CACTVS	3.385	C[C@@H](N(C)Cc1c[nH]c2ccccc12)c3cccc4ccccc34
Canonical SMILES	OpenEye OEToolkits	2.0.7	C[C@H](c1cccc2c1cccc2)N(C)Cc3c[nH]c4c3cccc4
InChI	InChI	1.03	InChI=1S/C22H22N2/c1-16(19-12-7-9-17-8-3-4-10-20(17)19)24(2)15-18-14-23-22-13-6-5-11-21(18)22/h3-14,16,23H,15H2,1-2H3/t16-/m1/s1
InChIKey	InChI	1.03	SKQKRKDBQBKZJK-MRXNPFEDSA-N

Related Resource References

Resource Name	Reference
PubChem	156595870

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.