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Details

Stereochemistry ACHIRAL
Molecular Formula C14H17F3N3O2
Molecular Weight 316.2989
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of TDBZCHOLINE

SMILES

C[N+](C)(C)CCOC(=O)C1=CC=C(C=C1)C2(N=N2)C(F)(F)F

InChI

InChIKey=IQGNIBHYFCIEEE-UHFFFAOYSA-N
InChI=1S/C14H17F3N3O2/c1-20(2,3)8-9-22-12(21)10-4-6-11(7-5-10)13(18-19-13)14(15,16)17/h4-7H,8-9H2,1-3H3/q+1

HIDE SMILES / InChI

Molecular Formula C14H17F3N3O2
Molecular Weight 316.2989
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 Sat Dec 16 16:59:06 GMT 2023
Edited
by admin
on Sat Dec 16 16:59:06 GMT 2023
Record UNII
NTU9QE4VZL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TDBZCHOLINE
Common Name English
4-[(3-Trifluoromethyl)-3H-diazirin-3-yl]benzoylcholine
Systematic Name English
N,N,N-TRIMETHYL-2-((4-(3-(TRIFLUOROMETHYL)-3H-DIAZIRIN-3-YL)BENZOYL)OXY)ETHANAMINIUM
Systematic Name English
ETHANAMINIUM, N,N,N-TRIMETHYL-2-((4-(3-(TRIFLUOROMETHYL)-3H-DIAZIRIN-3-YL)BENZOYL)OXY)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID501128802
Created by admin on Sat Dec 16 16:59:06 GMT 2023 , Edited by admin on Sat Dec 16 16:59:06 GMT 2023
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FDA UNII
NTU9QE4VZL
Created by admin on Sat Dec 16 16:59:06 GMT 2023 , Edited by admin on Sat Dec 16 16:59:06 GMT 2023
PRIMARY
CAS
496972-30-6
Created by admin on Sat Dec 16 16:59:06 GMT 2023 , Edited by admin on Sat Dec 16 16:59:06 GMT 2023
PRIMARY
PUBCHEM
90716102
Created by admin on Sat Dec 16 16:59:06 GMT 2023 , Edited by admin on Sat Dec 16 16:59:06 GMT 2023
PRIMARY
WIKIPEDIA
TDBzcholine
Created by admin on Sat Dec 16 16:59:06 GMT 2023 , Edited by admin on Sat Dec 16 16:59:06 GMT 2023
PRIMARY