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Details

Stereochemistry ACHIRAL
Molecular Formula C21H25N2O4.Cl
Molecular Weight 404.887
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-HYDROXYETHYL-DIMETHYL-(3-((3-OXOBENZO(F)CHROMENE-2-CARBONYL)AMINO)PROPYL)AZANIUM,CHLORIDE

SMILES

[Cl-].C[N+](C)(CCO)CCCNC(=O)C1=CC2=C3C=CC=CC3=CC=C2OC1=O

InChI

InChIKey=VBYAGSJMNYXFCJ-UHFFFAOYSA-N
InChI=1S/C21H24N2O4.ClH/c1-23(2,12-13-24)11-5-10-22-20(25)18-14-17-16-7-4-3-6-15(16)8-9-19(17)27-21(18)26;/h3-4,6-9,14,24H,5,10-13H2,1-2H3;1H

HIDE SMILES / InChI

Approval Year

Name Type Language
(2-HYDROXYETHYL)DIMETHYL(3-(((3-OXO-3H-NAPHTHO(2,1-B)PYRAN-2-YL)CARBONYL)AMINO)PROPYL)AMMONIUM CHLORIDE
Preferred Name English
2-HYDROXYETHYL-DIMETHYL-(3-((3-OXOBENZO(F)CHROMENE-2-CARBONYL)AMINO)PROPYL)AZANIUM,CHLORIDE
Systematic Name English
1-PROPANAMINIUM,N-(2-HYDROXYETHYL)-N,N-DIMETHYL-3-(((3-OXO-3H-NAPHTHO(2,1-B)PYRAN-2-YL)CARBONYL)AMINO)-,CHLORIDE(1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
44148189
Created by admin on Tue Apr 01 19:29:43 GMT 2025 , Edited by admin on Tue Apr 01 19:29:43 GMT 2025
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EPA CompTox
DTXSID20240860
Created by admin on Tue Apr 01 19:29:43 GMT 2025 , Edited by admin on Tue Apr 01 19:29:43 GMT 2025
PRIMARY
ECHA (EC/EINECS)
303-205-6
Created by admin on Tue Apr 01 19:29:43 GMT 2025 , Edited by admin on Tue Apr 01 19:29:43 GMT 2025
PRIMARY
FDA UNII
FYD37G568Z
Created by admin on Tue Apr 01 19:29:43 GMT 2025 , Edited by admin on Tue Apr 01 19:29:43 GMT 2025
PRIMARY
CAS
94159-27-0
Created by admin on Tue Apr 01 19:29:43 GMT 2025 , Edited by admin on Tue Apr 01 19:29:43 GMT 2025
PRIMARY