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Details

Stereochemistry ACHIRAL
Molecular Formula C12H20NO3.I
Molecular Weight 353.1966
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-(3-CARBETHOXY-2-METHYL-5-FURANMETHYL)-N,N,N-TRIMETHYLAMMONIUM IODIDE

SMILES

[I-].CCOC(=O)C1=C(C)OC(C[N+](C)(C)C)=C1

InChI

InChIKey=TUTJYLUZYBJMMA-UHFFFAOYSA-M
InChI=1S/C12H20NO3.HI/c1-6-15-12(14)11-7-10(16-9(11)2)8-13(3,4)5;/h7H,6,8H2,1-5H3;1H/q+1;/p-1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
(4-CARBOXY-5-METHYLFURFURYL)TRIMETHYLAMMONIUM IODIDE, ETHYL ESTER
Preferred Name English
N-(3-CARBETHOXY-2-METHYL-5-FURANMETHYL)-N,N,N-TRIMETHYLAMMONIUM IODIDE
Common Name English
NSC-173158
Code English
2-FURANMETHANAMINIUM, 4-(ETHOXYCARBONYL)-N,N,N,5-TETRAMETHYL-, IODIDE (1:1)
Systematic Name English
2-FURANMETHANAMINIUM, 4-(ETHOXYCARBONYL)-N,N,N,5-TETRAMETHYL-, IODIDE
Systematic Name English
Code System Code Type Description
FDA UNII
0910LRN1CM
Created by admin on Mon Mar 31 21:26:18 GMT 2025 , Edited by admin on Mon Mar 31 21:26:18 GMT 2025
PRIMARY
EPA CompTox
DTXSID90611028
Created by admin on Mon Mar 31 21:26:18 GMT 2025 , Edited by admin on Mon Mar 31 21:26:18 GMT 2025
PRIMARY
CAS
3519-20-8
Created by admin on Mon Mar 31 21:26:18 GMT 2025 , Edited by admin on Mon Mar 31 21:26:18 GMT 2025
PRIMARY
PUBCHEM
21144570
Created by admin on Mon Mar 31 21:26:18 GMT 2025 , Edited by admin on Mon Mar 31 21:26:18 GMT 2025
PRIMARY
NSC
173158
Created by admin on Mon Mar 31 21:26:18 GMT 2025 , Edited by admin on Mon Mar 31 21:26:18 GMT 2025
PRIMARY
NIH
NCATS
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