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Details

Stereochemistry ACHIRAL
Molecular Formula C9H16NO.I
Molecular Weight 281.1339
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-METHYLFURTRETHONIUM IODIDE

SMILES

[I-].CC1=CC=C(C[N+](C)(C)C)O1

InChI

InChIKey=IHTCZSNKQINGDD-UHFFFAOYSA-M
InChI=1S/C9H16NO.HI/c1-8-5-6-9(11-8)7-10(2,3)4;/h5-6H,7H2,1-4H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula HI
Molecular Weight 127.91241
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C9H16NO
Molecular Weight 154.2294
Charge 1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:58:50 GMT 2025
Edited
by admin
on Tue Apr 01 19:58:50 GMT 2025
Record UNII
TBP7263XX5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-METHYLFURTRETHONIUM IODIDE
Common Name English
NSC-34095
Preferred Name English
AMMONIUM, (5-METHYLFURFURYL)TRIMETHYL-, IODIDE
Systematic Name English
2-FURANMETHANAMINIUM, N,N,N,5-TETRAMETHYL-, IODIDE
Systematic Name English
2-FURANMETHANAMINIUM, N,N,N,5-TETRAMETHYL-, IODIDE (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
70973
Created by admin on Tue Apr 01 19:58:50 GMT 2025 , Edited by admin on Tue Apr 01 19:58:50 GMT 2025
PRIMARY
EPA CompTox
DTXSID90923072
Created by admin on Tue Apr 01 19:58:50 GMT 2025 , Edited by admin on Tue Apr 01 19:58:50 GMT 2025
PRIMARY
CAS
1197-60-0
Created by admin on Tue Apr 01 19:58:50 GMT 2025 , Edited by admin on Tue Apr 01 19:58:50 GMT 2025
PRIMARY
NSC
34095
Created by admin on Tue Apr 01 19:58:50 GMT 2025 , Edited by admin on Tue Apr 01 19:58:50 GMT 2025
PRIMARY
FDA UNII
TBP7263XX5
Created by admin on Tue Apr 01 19:58:50 GMT 2025 , Edited by admin on Tue Apr 01 19:58:50 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE