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Details

Stereochemistry ACHIRAL
Molecular Formula C7H7O3S.C6H15FNO
Molecular Weight 307.381
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FLUOROETHYLCHOLINE TOSYLATE

SMILES

C[N+](C)(CCO)CCF.CC1=CC=C(C=C1)S([O-])(=O)=O

InChI

InChIKey=NRGASHBZQVBHTN-UHFFFAOYSA-M
InChI=1S/C7H8O3S.C6H15FNO/c1-6-2-4-7(5-3-6)11(8,9)10;1-8(2,4-3-7)5-6-9/h2-5H,1H3,(H,8,9,10);9H,3-6H2,1-2H3/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula C6H14FNO
Molecular Weight 135.1799
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C7H8O3S
Molecular Weight 172.202
Charge 0
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 Sat Dec 16 11:52:17 UTC 2023
Edited
by admin
on Sat Dec 16 11:52:17 UTC 2023
Record UNII
71O5S09TID
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FLUOROETHYLCHOLINE TOSYLATE
Common Name English
ETHANAMINIUM, N-(2-FLUOROETHYL)-2-HYDROXY-N,N-DIMETHYL-, SALT WITH 4-METHYLBENZENESULFONIC ACID (1:1)
Systematic Name English
ETHANAMINIUM, N-(2-FLUOROETHYL)-2-HYDROXY-N,N-DIMETHYL-, 4-METHYLBENZENESULFONATE (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
101043008
Created by admin on Sat Dec 16 11:52:17 UTC 2023 , Edited by admin on Sat Dec 16 11:52:17 UTC 2023
PRIMARY
CAS
479407-07-3
Created by admin on Sat Dec 16 11:52:17 UTC 2023 , Edited by admin on Sat Dec 16 11:52:17 UTC 2023
PRIMARY
FDA UNII
71O5S09TID
Created by admin on Sat Dec 16 11:52:17 UTC 2023 , Edited by admin on Sat Dec 16 11:52:17 UTC 2023
PRIMARY