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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H20N.CF3O3S
Molecular Weight 291.331
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-BUTYL-1-METHYLPYRROLIDINIUM TRIFLATE

SMILES

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

InChI

InChIKey=WZJDNKTZWIOOJE-UHFFFAOYSA-M
InChI=1S/C9H20N.CHF3O3S/c1-3-4-7-10(2)8-5-6-9-10;2-1(3,4)8(5,6)7/h3-9H2,1-2H3;(H,5,6,7)/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula C9H20N
Molecular Weight 142.2618
Charge 1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula CF3O3S
Molecular Weight 149.069
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 08:54:04 GMT 2023
Edited
by admin
on Sat Dec 16 08:54:04 GMT 2023
Record UNII
8643I9OAOY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-BUTYL-1-METHYLPYRROLIDINIUM TRIFLATE
Systematic Name English
PYRROLIDINIUM, 1-BUTYL-1-METHYL-, TRIFLUOROMETHANESULFONATE (1:1)
Systematic Name English
1-BUTYL-1-METHYLPYRROLIDINIUM TRIFLUOROMETHANESULFONATE
Systematic Name English
N-BUTYL-N-METHYLPYRROLIDINIUM TRIFLUOROMETHANESULFONATE
Systematic Name English
Code System Code Type Description
PUBCHEM
12195864
Created by admin on Sat Dec 16 08:54:04 GMT 2023 , Edited by admin on Sat Dec 16 08:54:04 GMT 2023
PRIMARY
CAS
367522-96-1
Created by admin on Sat Dec 16 08:54:04 GMT 2023 , Edited by admin on Sat Dec 16 08:54:04 GMT 2023
PRIMARY
FDA UNII
8643I9OAOY
Created by admin on Sat Dec 16 08:54:04 GMT 2023 , Edited by admin on Sat Dec 16 08:54:04 GMT 2023
PRIMARY
EPA CompTox
DTXSID5049285
Created by admin on Sat Dec 16 08:54:04 GMT 2023 , Edited by admin on Sat Dec 16 08:54:04 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE