U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C8H18N.C2F6NO4S2
Molecular Weight 408.381
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-Methyl-1-propylpyrrolidinium bis(trifluoromethylsulfonyl)imide

SMILES

CCC[N+]1(C)CCCC1.FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F

InChI

InChIKey=DKNRELLLVOYIIB-UHFFFAOYSA-N
InChI=1S/C8H18N.C2F6NO4S2/c1-3-6-9(2)7-4-5-8-9;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-8H2,1-2H3;/q+1;-1

HIDE SMILES / InChI

Molecular Formula C2HF6NO4S2
Molecular Weight 281.154
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C8H18N
Molecular Weight 128.2352
Charge 1
Count
Stereochemistry RACEMIC
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 09:32:29 GMT 2023
Edited
by admin
on Sat Dec 16 09:32:29 GMT 2023
Record UNII
ZP32CA7HSV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-Methyl-1-propylpyrrolidinium bis(trifluoromethylsulfonyl)imide
Systematic Name English
Pyrrolidinium, 1-methyl-1-propyl-, salt with 1,1,1-trifluoro-N-[(trifluoromethyl)sulfonyl]methanesulfonamide (1:1)
Common Name English
Code System Code Type Description
PUBCHEM
25171607
Created by admin on Sat Dec 16 09:32:29 GMT 2023 , Edited by admin on Sat Dec 16 09:32:29 GMT 2023
PRIMARY
FDA UNII
ZP32CA7HSV
Created by admin on Sat Dec 16 09:32:29 GMT 2023 , Edited by admin on Sat Dec 16 09:32:29 GMT 2023
PRIMARY
EPA CompTox
DTXSID1047942
Created by admin on Sat Dec 16 09:32:29 GMT 2023 , Edited by admin on Sat Dec 16 09:32:29 GMT 2023
PRIMARY
CAS
223437-05-6
Created by admin on Sat Dec 16 09:32:29 GMT 2023 , Edited by admin on Sat Dec 16 09:32:29 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
IONIC MOIETY