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Details

Stereochemistry ACHIRAL
Molecular Formula C21H32N.Cl
Molecular Weight 333.938
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LAURYL ISOQUINOLINIUM CHLORIDE

SMILES

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

InChI

InChIKey=WBXDKDRNXQVSGV-UHFFFAOYSA-M
InChI=1S/C21H32N.ClH/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 ClH
Molecular Weight 36.461
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 Sat Dec 16 08:55:32 UTC 2023
Edited
by admin
on Sat Dec 16 08:55:32 UTC 2023
Record UNII
W21ZNV8R6L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LAURYL ISOQUINOLINIUM CHLORIDE
Systematic Name English
2-DODECYLISOQUINOLINIUM CHLORIDE
Systematic Name English
ISOQUINOLINIUM, 2-DODECYL-, CHLORIDE
Systematic Name English
N-LAURYLISOQUINOLINIUM CHLORIDE
Systematic Name English
ISOQUINOLINIUM, 2-DODECYL-, CHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID90992349
Created by admin on Sat Dec 16 08:55:32 UTC 2023 , Edited by admin on Sat Dec 16 08:55:32 UTC 2023
PRIMARY
CAS
71732-96-2
Created by admin on Sat Dec 16 08:55:32 UTC 2023 , Edited by admin on Sat Dec 16 08:55:32 UTC 2023
PRIMARY
FDA UNII
W21ZNV8R6L
Created by admin on Sat Dec 16 08:55:32 UTC 2023 , Edited by admin on Sat Dec 16 08:55:32 UTC 2023
PRIMARY
PUBCHEM
51393
Created by admin on Sat Dec 16 08:55:32 UTC 2023 , Edited by admin on Sat Dec 16 08:55:32 UTC 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY