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Details

Stereochemistry ACHIRAL
Molecular Formula C22H40N.Br
Molecular Weight 398.464
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CETYLPICOLINIUM BROMIDE

SMILES

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

InChI

InChIKey=UFXSTPIFUFQVRP-UHFFFAOYSA-M
InChI=1S/C22H40N.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-20-17-22(2)18-21-23;/h17-18,20-21H,3-16,19H2,1-2H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula BrH
Molecular Weight 80.912
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C22H40N
Molecular Weight 318.5597
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 18:44:14 GMT 2023
Edited
by admin
on Sat Dec 16 18:44:14 GMT 2023
Record UNII
375671GIKB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CETYLPICOLINIUM BROMIDE
Common Name English
CETYL-4-PICOLINIUM BROMIDE
Common Name English
CETYL-.GAMMA.-PICOLINIUM BROMIDE
Common Name English
PYRIDINIUM, 1-HEXADECYL-4-METHYL-, BROMIDE (1:1)
Systematic Name English
1-HEXADECYL-4-METHYLPYRIDINIUM BROMIDE
Systematic Name English
1-HEXADECYL-4-PICOLINIUM BROMIDE
Common Name English
Code System Code Type Description
PUBCHEM
75338
Created by admin on Sat Dec 16 18:44:15 GMT 2023 , Edited by admin on Sat Dec 16 18:44:15 GMT 2023
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FDA UNII
375671GIKB
Created by admin on Sat Dec 16 18:44:15 GMT 2023 , Edited by admin on Sat Dec 16 18:44:15 GMT 2023
PRIMARY
CAS
2315-40-4
Created by admin on Sat Dec 16 18:44:15 GMT 2023 , Edited by admin on Sat Dec 16 18:44:15 GMT 2023
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EPA CompTox
DTXSID1041760
Created by admin on Sat Dec 16 18:44:15 GMT 2023 , Edited by admin on Sat Dec 16 18:44:15 GMT 2023
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