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Details

Stereochemistry ACHIRAL
Molecular Formula C21H38N.C2H3O2
Molecular Weight 363.5771
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CETYLPYRIDINIUM ACETATE

SMILES

CC([O-])=O.CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1

InChI

InChIKey=CBRUQZUHJAXNHS-UHFFFAOYSA-M
InChI=1S/C21H38N.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;1-2(3)4/h15,17-18,20-21H,2-14,16,19H2,1H3;1H3,(H,3,4)/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula C21H38N
Molecular Weight 304.5331
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C2H3O2
Molecular Weight 59.044
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 Fri Dec 15 15:09:26 UTC 2023
Edited
by admin
on Fri Dec 15 15:09:26 UTC 2023
Record UNII
6W29RZ7YU2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CETYLPYRIDINIUM ACETATE
Systematic Name English
1-HEXADECYLPYRIDINIUM ACETATE
Systematic Name English
PYRIDINIUM, 1-HEXADECYL-, ACETATE
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C28394
Created by admin on Fri Dec 15 15:09:26 UTC 2023 , Edited by admin on Fri Dec 15 15:09:26 UTC 2023
Code System Code Type Description
DAILYMED
6W29RZ7YU2
Created by admin on Fri Dec 15 15:09:26 UTC 2023 , Edited by admin on Fri Dec 15 15:09:26 UTC 2023
PRIMARY
PUBCHEM
23921
Created by admin on Fri Dec 15 15:09:26 UTC 2023 , Edited by admin on Fri Dec 15 15:09:26 UTC 2023
PRIMARY
FDA UNII
6W29RZ7YU2
Created by admin on Fri Dec 15 15:09:26 UTC 2023 , Edited by admin on Fri Dec 15 15:09:26 UTC 2023
PRIMARY
RXCUI
1307588
Created by admin on Fri Dec 15 15:09:26 UTC 2023 , Edited by admin on Fri Dec 15 15:09:26 UTC 2023
PRIMARY RxNorm
NCI_THESAURUS
C83616
Created by admin on Fri Dec 15 15:09:26 UTC 2023 , Edited by admin on Fri Dec 15 15:09:26 UTC 2023
PRIMARY
CAS
7439-73-8
Created by admin on Fri Dec 15 15:09:26 UTC 2023 , Edited by admin on Fri Dec 15 15:09:26 UTC 2023
PRIMARY
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