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Details

Stereochemistry ACHIRAL
Molecular Formula C19H18NO4.Cl
Molecular Weight 359.804
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(1,3-Benzodioxol-5-yl)-6,7-dimethoxy-2-methylisoquinolinium chloride

SMILES

[Cl-].COC1=CC2=CC(C3=CC4=C(OCO4)C=C3)=[N+](C)C=C2C=C1OC

InChI

InChIKey=KFBIKWJMMKUVHY-UHFFFAOYSA-M
InChI=1S/C19H18NO4.ClH/c1-20-10-14-9-18(22-3)17(21-2)8-13(14)6-15(20)12-4-5-16-19(7-12)24-11-23-16;/h4-10H,11H2,1-3H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula C19H18NO4
Molecular Weight 324.3505
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Cl
Molecular Weight 35.453
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 Tue Apr 01 20:16:54 GMT 2025
Edited
by admin
on Tue Apr 01 20:16:54 GMT 2025
Record UNII
RB5W97FV3W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(1,3-Benzodioxol-5-yl)-6,7-dimethoxy-2-methylisoquinolinium chloride
Systematic Name English
NSC-361598
Preferred Name English
Isoquinolinium, 3-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-methyl-, chloride
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID901007874
Created by admin on Tue Apr 01 20:16:54 GMT 2025 , Edited by admin on Tue Apr 01 20:16:54 GMT 2025
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FDA UNII
RB5W97FV3W
Created by admin on Tue Apr 01 20:16:54 GMT 2025 , Edited by admin on Tue Apr 01 20:16:54 GMT 2025
PRIMARY
CAS
87922-33-6
Created by admin on Tue Apr 01 20:16:54 GMT 2025 , Edited by admin on Tue Apr 01 20:16:54 GMT 2025
PRIMARY
PUBCHEM
132681
Created by admin on Tue Apr 01 20:16:54 GMT 2025 , Edited by admin on Tue Apr 01 20:16:54 GMT 2025
PRIMARY
NSC
361598
Created by admin on Tue Apr 01 20:16:54 GMT 2025 , Edited by admin on Tue Apr 01 20:16:54 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE