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Details

Stereochemistry ACHIRAL
Molecular Formula C19H18NO4
Molecular Weight 324.3505
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 1

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

SMILES

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

InChI

InChIKey=LDBUGRMRPMPDIN-UHFFFAOYSA-N
InChI=1S/C19H18NO4/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/q+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

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:14:02 GMT 2025
Edited
by admin
on Wed Apr 02 19:14:02 GMT 2025
Record UNII
QW6XBK7FW2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(1,3-Benzodioxol-5-yl)-6,7-dimethoxy-2-methylisoquinolinium
Systematic Name English
Isoquinolinium, 3-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-methyl-
Preferred Name English
Code System Code Type Description
CAS
766464-02-2
Created by admin on Wed Apr 02 19:14:02 GMT 2025 , Edited by admin on Wed Apr 02 19:14:02 GMT 2025
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PUBCHEM
132682
Created by admin on Wed Apr 02 19:14:02 GMT 2025 , Edited by admin on Wed Apr 02 19:14:02 GMT 2025
PRIMARY
FDA UNII
QW6XBK7FW2
Created by admin on Wed Apr 02 19:14:02 GMT 2025 , Edited by admin on Wed Apr 02 19:14:02 GMT 2025
PRIMARY