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Details

Stereochemistry ACHIRAL
Molecular Formula C6H15NO3S
Molecular Weight 181.253
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(Trimethylazaniumyl)propane-1-sulfonate

SMILES

C[N+](C)(C)CCCS([O-])(=O)=O

InChI

InChIKey=WFJHXXPYPMNRPK-UHFFFAOYSA-N
InChI=1S/C6H15NO3S/c1-7(2,3)5-4-6-11(8,9)10/h4-6H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C6H15NO3S
Molecular Weight 181.253
Charge 0
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 13:05:42 GMT 2023
Edited
by admin
on Sat Dec 16 13:05:42 GMT 2023
Record UNII
7CBL522F69
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(Trimethylazaniumyl)propane-1-sulfonate
Systematic Name English
Ammonium, trimethyl(3-sulfopropyl)-, hydroxide, inner salt
Systematic Name English
NSC-102619
Code English
1-Propanaminium, N,N,N-trimethyl-3-sulfo-, hydroxide, inner salt
Systematic Name English
3-Trimethylammoniumpropanesulfonate inner salt
Common Name English
1-Propanaminium, N,N,N-trimethyl-3-sulfo-, inner salt
Systematic Name English
Code System Code Type Description
CAS
21865-17-8
Created by admin on Sat Dec 16 13:05:42 GMT 2023 , Edited by admin on Sat Dec 16 13:05:42 GMT 2023
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NSC
102619
Created by admin on Sat Dec 16 13:05:42 GMT 2023 , Edited by admin on Sat Dec 16 13:05:42 GMT 2023
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EPA CompTox
DTXSID50176264
Created by admin on Sat Dec 16 13:05:42 GMT 2023 , Edited by admin on Sat Dec 16 13:05:42 GMT 2023
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FDA UNII
7CBL522F69
Created by admin on Sat Dec 16 13:05:42 GMT 2023 , Edited by admin on Sat Dec 16 13:05:42 GMT 2023
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PUBCHEM
30837
Created by admin on Sat Dec 16 13:05:42 GMT 2023 , Edited by admin on Sat Dec 16 13:05:42 GMT 2023
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