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Details

Stereochemistry ACHIRAL
Molecular Formula C12H12N.Cl
Molecular Weight 205.683
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CYPERQUAT CHLORIDE

SMILES

[Cl-].C[N+]1=CC=C(C=C1)C2=CC=CC=C2

InChI

InChIKey=LMGBDZJLZIPJPZ-UHFFFAOYSA-M
InChI=1S/C12H12N.ClH/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11;/h2-10H,1H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula C12H12N
Molecular Weight 170.2304
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 20:32:59 UTC 2023
Edited
by admin
on Fri Dec 15 20:32:59 UTC 2023
Record UNII
MRP3DNB9K9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CYPERQUAT CHLORIDE
ISO  
Common Name English
CYPERQUAT CHLORIDE [ISO]
Common Name English
PYRIDINIUM, 1-METHYL-4-PHENYL-, CHLORIDE
Systematic Name English
S-21634
Code English
N-METHYL-4-PHENYLPYRIDINIUM CHLORIDE
Systematic Name English
1-METHYL-4-PHENYLPYRIDINIUM CHLORIDE
Systematic Name English
PYRIDINIUM, 1-METHYL-4-PHENYL-, CHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
94497
Created by admin on Fri Dec 15 20:33:00 UTC 2023 , Edited by admin on Fri Dec 15 20:33:00 UTC 2023
PRIMARY
EPA CompTox
DTXSID8041826
Created by admin on Fri Dec 15 20:33:00 UTC 2023 , Edited by admin on Fri Dec 15 20:33:00 UTC 2023
PRIMARY
ALANWOOD
cyperquat chloride
Created by admin on Fri Dec 15 20:33:00 UTC 2023 , Edited by admin on Fri Dec 15 20:33:00 UTC 2023
PRIMARY
CAS
39794-99-5
Created by admin on Fri Dec 15 20:33:00 UTC 2023 , Edited by admin on Fri Dec 15 20:33:00 UTC 2023
PRIMARY
FDA UNII
MRP3DNB9K9
Created by admin on Fri Dec 15 20:33:00 UTC 2023 , Edited by admin on Fri Dec 15 20:33:00 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE