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Details

Stereochemistry ACHIRAL
Molecular Formula C22H43ClN.Cl
Molecular Weight 392.49
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

[Cl-].CCCCCCCCCCCCCCCC[N+](C)(C)CC#CCCl

InChI

InChIKey=YGWQHADIQOGDRC-UHFFFAOYSA-M
InChI=1S/C22H43ClN.ClH/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;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C22H43ClN
Molecular Weight 357.037
Charge 1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 13:11:20 GMT 2023
Edited
by admin
on Sat Dec 16 13:11:20 GMT 2023
Record UNII
QU6NR36W6F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-(4-Chloro-2-butyn-1-yl)-N,N-dimethyl-1-hexadecanaminium chloride
Systematic Name English
NSC-191833
Code English
1-Hexadecanaminium, N-(4-chloro-2-butynyl)-N,N-dimethyl-, chloride
Systematic Name English
1-Hexadecanaminium, N-(4-chloro-2-butyn-1-yl)-N,N-dimethyl-, chloride (1:1)
Systematic Name English
4-chlorobut-2-ynyl-hexadecyl-dimethylazanium chloride
Systematic Name English
AMMONIUM, (4-CHLORO-2-BUTYNYL)DIMETHYLHEXADECYL-, CHLORIDE
Systematic Name English
Code System Code Type Description
NSC
191833
Created by admin on Sat Dec 16 13:11:20 GMT 2023 , Edited by admin on Sat Dec 16 13:11:20 GMT 2023
PRIMARY
FDA UNII
QU6NR36W6F
Created by admin on Sat Dec 16 13:11:20 GMT 2023 , Edited by admin on Sat Dec 16 13:11:20 GMT 2023
PRIMARY
EPA CompTox
DTXSID50994460
Created by admin on Sat Dec 16 13:11:20 GMT 2023 , Edited by admin on Sat Dec 16 13:11:20 GMT 2023
PRIMARY
CAS
73663-98-6
Created by admin on Sat Dec 16 13:11:20 GMT 2023 , Edited by admin on Sat Dec 16 13:11:20 GMT 2023
PRIMARY
PUBCHEM
52001
Created by admin on Sat Dec 16 13:11:20 GMT 2023 , Edited by admin on Sat Dec 16 13:11:20 GMT 2023
PRIMARY
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