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Details

Stereochemistry ACHIRAL
Molecular Formula C21H32N
Molecular Weight 298.4855
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of LAURYL ISOQUINOLINIUM

SMILES

CCCCCCCCCCCC[N+]1=CC=C2C=CC=CC2=C1

InChI

InChIKey=ZFCMISKWVFUWHP-UHFFFAOYSA-N
InChI=1S/C21H32N/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/q+1

HIDE SMILES / InChI

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 02:15:38 UTC 2023
Edited
by admin
on Sat Dec 16 02:15:38 UTC 2023
Record UNII
3E4M46N97K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LAURYL ISOQUINOLINIUM
Systematic Name English
LAURYL ISOQUINOLINIUM ION
Common Name English
ISOQUINOLINIUM, 2-DODECYL-
Systematic Name English
LAURYL ISOQUINOLINIUM CATION
Common Name English
Code System Code Type Description
FDA UNII
3E4M46N97K
Created by admin on Sat Dec 16 02:15:38 UTC 2023 , Edited by admin on Sat Dec 16 02:15:38 UTC 2023
PRIMARY
PUBCHEM
7133
Created by admin on Sat Dec 16 02:15:38 UTC 2023 , Edited by admin on Sat Dec 16 02:15:38 UTC 2023
PRIMARY
EPA CompTox
DTXSID5048263
Created by admin on Sat Dec 16 02:15:38 UTC 2023 , Edited by admin on Sat Dec 16 02:15:38 UTC 2023
PRIMARY
CAS
16826-19-0
Created by admin on Sat Dec 16 02:15:38 UTC 2023 , Edited by admin on Sat Dec 16 02:15:38 UTC 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY