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Details

Stereochemistry ACHIRAL
Molecular Formula C21H32N.Br
Molecular Weight 378.389
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LAURYL ISOQUINOLINIUM BROMIDE

SMILES

[Br-].CCCCCCCCCCCC[N+]1=CC=C2C=CC=CC2=C1

InChI

InChIKey=MSJLMQTXVKCUCD-UHFFFAOYSA-M
InChI=1S/C21H32N.BrH/c1-2-3-4-5-6-7-8-9-10-13-17-22-18-16-20-14-11-12-15-21(20)19-22;/h11-12,14-16,18-19H,2-10,13,17H2,1H3;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 C21H32N
Molecular Weight 298.4855
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 17:12:21 UTC 2023
Edited
by admin
on Fri Dec 15 17:12:21 UTC 2023
Record UNII
09TM5K0O34
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LAURYL ISOQUINOLINIUM BROMIDE
INCI   USAN  
INCI   USAN  
Official Name English
LAURYL ISOQUINOLINIUM BROMIDE [USAN]
Common Name English
N-LAURYL ISOQUINOLINE BROMIDE
Systematic Name English
DECELERINE
Brand Name English
DODECYLISOQUINOLINIUM BROMIDE
Systematic Name English
LAURYL ISOQUINOLINIUM BROMIDE [INCI]
Common Name English
ISOTHAN
Brand Name English
ISOQUINOLINIUM, 2-DODECYL-, BROMIDE
Systematic Name English
N-LAURYL-ISOQUINOLINE BROMIDE
Systematic Name English
ISOQUINOLINIUM, 2-DODECYL-, BROMIDE (1:1)
Systematic Name English
NSC-20909
Code English
2-Dodecylisoquinolinium bromide
Systematic Name English
LAURYLISOQUINOLINIUM BROMIDE
Systematic Name English
Classification Tree Code System Code
EPA PESTICIDE CODE 69130
Created by admin on Fri Dec 15 17:12:22 UTC 2023 , Edited by admin on Fri Dec 15 17:12:22 UTC 2023
Code System Code Type Description
NSC
20909
Created by admin on Fri Dec 15 17:12:22 UTC 2023 , Edited by admin on Fri Dec 15 17:12:22 UTC 2023
PRIMARY
ChEMBL
CHEMBL1398631
Created by admin on Fri Dec 15 17:12:22 UTC 2023 , Edited by admin on Fri Dec 15 17:12:22 UTC 2023
PRIMARY
CAS
93-23-2
Created by admin on Fri Dec 15 17:12:22 UTC 2023 , Edited by admin on Fri Dec 15 17:12:22 UTC 2023
PRIMARY
NCI_THESAURUS
C175104
Created by admin on Fri Dec 15 17:12:22 UTC 2023 , Edited by admin on Fri Dec 15 17:12:22 UTC 2023
PRIMARY
EPA CompTox
DTXSID5042087
Created by admin on Fri Dec 15 17:12:22 UTC 2023 , Edited by admin on Fri Dec 15 17:12:22 UTC 2023
PRIMARY
FDA UNII
09TM5K0O34
Created by admin on Fri Dec 15 17:12:22 UTC 2023 , Edited by admin on Fri Dec 15 17:12:22 UTC 2023
PRIMARY
PUBCHEM
7132
Created by admin on Fri Dec 15 17:12:22 UTC 2023 , Edited by admin on Fri Dec 15 17:12:22 UTC 2023
PRIMARY
ECHA (EC/EINECS)
202-230-9
Created by admin on Fri Dec 15 17:12:22 UTC 2023 , Edited by admin on Fri Dec 15 17:12:22 UTC 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY