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Details

Stereochemistry ACHIRAL
Molecular Formula C10H22N.Br
Molecular Weight 236.192
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-Butyl-1-methylpiperidinium bromide

SMILES

[Br-].CCCC[N+]1(C)CCCCC1

InChI

InChIKey=WYABBCZMFVULEF-UHFFFAOYSA-M
InChI=1S/C10H22N.BrH/c1-3-4-8-11(2)9-6-5-7-10-11;/h3-10H2,1-2H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula C10H22N
Molecular Weight 156.2884
Charge 1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity NONE

Molecular Formula Br
Molecular Weight 79.904
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 Mon Mar 31 22:21:30 GMT 2025
Edited
by admin
on Mon Mar 31 22:21:30 GMT 2025
Record UNII
JSG4BSC83L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-Butyl-1-methylpiperidinium bromide
Systematic Name English
Piperidinium, 1-butyl-1-methyl-, bromide
Preferred Name English
Code System Code Type Description
FDA UNII
JSG4BSC83L
Created by admin on Mon Mar 31 22:21:30 GMT 2025 , Edited by admin on Mon Mar 31 22:21:30 GMT 2025
PRIMARY
EPA CompTox
DTXSID9049378
Created by admin on Mon Mar 31 22:21:30 GMT 2025 , Edited by admin on Mon Mar 31 22:21:30 GMT 2025
PRIMARY
PUBCHEM
19838382
Created by admin on Mon Mar 31 22:21:30 GMT 2025 , Edited by admin on Mon Mar 31 22:21:30 GMT 2025
PRIMARY
CAS
94280-72-5
Created by admin on Mon Mar 31 22:21:30 GMT 2025 , Edited by admin on Mon Mar 31 22:21:30 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT