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Details

Stereochemistry ACHIRAL
Molecular Formula C22H35N2.Br
Molecular Weight 407.431
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-BENZYL-3-METHYL-2-UNDECYLIMIDAZOLIUM BROMIDE

SMILES

[Br-].CCCCCCCCCCCC1=[N+](C)C=CN1CC2=CC=CC=C2

InChI

InChIKey=FMZPWWHYVRJVEX-UHFFFAOYSA-M
InChI=1S/C22H35N2.BrH/c1-3-4-5-6-7-8-9-10-14-17-22-23(2)18-19-24(22)20-21-15-12-11-13-16-21;/h11-13,15-16,18-19H,3-10,14,17,20H2,1-2H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula BrH
Molecular Weight 80.912
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C22H35N2
Molecular Weight 327.5267
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 22:35:04 GMT 2025
Edited
by admin
on Mon Mar 31 22:35:04 GMT 2025
Record UNII
H8XFB7HG8O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-81904
Preferred Name English
1-BENZYL-3-METHYL-2-UNDECYLIMIDAZOLIUM BROMIDE
Systematic Name English
Code System Code Type Description
FDA UNII
H8XFB7HG8O
Created by admin on Mon Mar 31 22:35:04 GMT 2025 , Edited by admin on Mon Mar 31 22:35:04 GMT 2025
PRIMARY
NSC
81904
Created by admin on Mon Mar 31 22:35:04 GMT 2025 , Edited by admin on Mon Mar 31 22:35:04 GMT 2025
PRIMARY
PUBCHEM
24188986
Created by admin on Mon Mar 31 22:35:04 GMT 2025 , Edited by admin on Mon Mar 31 22:35:04 GMT 2025
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EPA CompTox
DTXSID50157896
Created by admin on Mon Mar 31 22:35:04 GMT 2025 , Edited by admin on Mon Mar 31 22:35:04 GMT 2025
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CAS
133-20-0
Created by admin on Mon Mar 31 22:35:04 GMT 2025 , Edited by admin on Mon Mar 31 22:35:04 GMT 2025
PRIMARY