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Details

Stereochemistry ACHIRAL
Molecular Formula C22H43ClN
Molecular Weight 357.037
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of N-(4-Chloro-2-butyn-1-yl)-N,N-dimethyl-1-hexadecanaminium

SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)CC#CCCl

InChI

InChIKey=KFRDMULBEMHUGZ-UHFFFAOYSA-N
InChI=1S/C22H43ClN/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24(2,3)22-19-17-20-23/h4-16,18,20-22H2,1-3H3/q+1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
1-Hexadecanaminium, N-(4-chloro-2-butyn-1-yl)-N,N-dimethyl-
Preferred Name English
N-(4-Chloro-2-butyn-1-yl)-N,N-dimethyl-1-hexadecanaminium
Systematic Name English
4-chlorobut-2-ynyl-hexadecyl-dimethylazanium
Systematic Name English
1-Hexadecanaminium, N-(4-chloro-2-butynyl)-N,N-dimethyl-
Systematic Name English
Code System Code Type Description
PUBCHEM
52002
Created by admin on Wed Apr 02 17:20:58 GMT 2025 , Edited by admin on Wed Apr 02 17:20:58 GMT 2025
PRIMARY
FDA UNII
RLV8M48QMP
Created by admin on Wed Apr 02 17:20:58 GMT 2025 , Edited by admin on Wed Apr 02 17:20:58 GMT 2025
PRIMARY
CAS
779275-14-8
Created by admin on Wed Apr 02 17:20:58 GMT 2025 , Edited by admin on Wed Apr 02 17:20:58 GMT 2025
PRIMARY
NIH
NCATS
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