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Details

Stereochemistry ACHIRAL
Molecular Formula C8H8N.Cl
Molecular Weight 153.609
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(2-Propyn-1-yl)pyridinium chloride

SMILES

[Cl-].C#CC[N+]1=CC=CC=C1

InChI

InChIKey=ZTMMPBHHIWQJJW-UHFFFAOYSA-M
InChI=1S/C8H8N.ClH/c1-2-6-9-7-4-3-5-8-9;/h1,3-5,7-8H,6H2;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula Cl
Molecular Weight 35.453
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C8H8N
Molecular Weight 118.1558
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:34:00 GMT 2025
Edited
by admin
on Wed Apr 02 19:34:00 GMT 2025
Record UNII
HJ2WV4NE97
Record Status Validated (UNII)
Record Version
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Name Type Language
1-(2-Propyn-1-yl)pyridinium chloride
Systematic Name English
1-(prop-2-yn-1-yl)pyridin-1-ium chloride
Preferred Name English
Pyridinium, 1-(2-propyn-1-yl)-, chloride (1:1)
Systematic Name English
Pyridinium, 1-(2-propynyl)-, chloride
Systematic Name English
Code System Code Type Description
FDA UNII
HJ2WV4NE97
Created by admin on Wed Apr 02 19:34:00 GMT 2025 , Edited by admin on Wed Apr 02 19:34:00 GMT 2025
PRIMARY
CAS
45705-46-2
Created by admin on Wed Apr 02 19:34:00 GMT 2025 , Edited by admin on Wed Apr 02 19:34:00 GMT 2025
PRIMARY
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