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Details

Stereochemistry ACHIRAL
Molecular Formula C13H12NO3.Cl
Molecular Weight 265.692
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(3,4-dihydroxyphenyl)-2-pyridin-1-ium-1-ylethanone,chloride

SMILES

[Cl-].OC1=C(O)C=C(C=C1)C(=O)C[N+]2=CC=CC=C2

InChI

InChIKey=LRMWFIYAWMJFCS-UHFFFAOYSA-N
InChI=1S/C13H11NO3.ClH/c15-11-5-4-10(8-12(11)16)13(17)9-14-6-2-1-3-7-14;/h1-8H,9H2,(H-,15,16,17);1H

HIDE SMILES / InChI

Molecular Formula C13H12NO3
Molecular Weight 230.2393
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 13:01:14 GMT 2023
Edited
by admin
on Sat Dec 16 13:01:14 GMT 2023
Record UNII
4N2P3P7X3H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(3,4-dihydroxyphenyl)-2-pyridin-1-ium-1-ylethanone,chloride
Systematic Name English
1-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]pyridin-1-ium chloride
Systematic Name English
Pyridinium, 1-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]-, chloride (1:1)
Systematic Name English
3,4-Dihydroxyphenacylpyridinium chloride
Systematic Name English
1-(3,4-Dihydroxyphenacyl)pyridinium chloride
Systematic Name English
Pyridinium, 1-(3,4-dihydroxyphenacyl)-, chloride
Systematic Name English
NSC-55508
Code English
Code System Code Type Description
FDA UNII
4N2P3P7X3H
Created by admin on Sat Dec 16 13:01:14 GMT 2023 , Edited by admin on Sat Dec 16 13:01:14 GMT 2023
PRIMARY
CAS
6623-55-8
Created by admin on Sat Dec 16 13:01:14 GMT 2023 , Edited by admin on Sat Dec 16 13:01:14 GMT 2023
PRIMARY
NSC
55508
Created by admin on Sat Dec 16 13:01:14 GMT 2023 , Edited by admin on Sat Dec 16 13:01:14 GMT 2023
PRIMARY
PUBCHEM
24186842
Created by admin on Sat Dec 16 13:01:14 GMT 2023 , Edited by admin on Sat Dec 16 13:01:14 GMT 2023
PRIMARY
EPA CompTox
DTXSID80984733
Created by admin on Sat Dec 16 13:01:14 GMT 2023 , Edited by admin on Sat Dec 16 13:01:14 GMT 2023
PRIMARY
Related Record Type Details
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