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Details

Stereochemistry ACHIRAL
Molecular Formula C22H30BrClNO
Molecular Weight 439.837
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of HALOPENIUM

SMILES

CC(C)C1=CC(Cl)=C(C)C=C1OCCC[N+](C)(C)CC2=CC=C(Br)C=C2

InChI

InChIKey=VSXZKSNSPQZSDB-UHFFFAOYSA-N
InChI=1S/C22H30BrClNO/c1-16(2)20-14-21(24)17(3)13-22(20)26-12-6-11-25(4,5)15-18-7-9-19(23)10-8-18/h7-10,13-14,16H,6,11-12,15H2,1-5H3/q+1

HIDE SMILES / InChI

Molecular Formula C22H30BrClNO
Molecular Weight 439.837
Charge 1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity NONE

Substance Class Chemical
Created
by admin
on Mon Mar 31 18:46:01 GMT 2025
Edited
by admin
on Mon Mar 31 18:46:01 GMT 2025
Record UNII
FAZ43R62D7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HALOPENIUM
Common Name English
HALOPENIUM CATION
Preferred Name English
4-BROMOBENZYL(3-(4-CHLORO-5-METHYL-2-ISOPROPYLPHENOXY)PROPYL)DIMETHYLAMMONIUM
Systematic Name English
HALOPENIUM ION
Common Name English
Code System Code Type Description
PUBCHEM
214345
Created by admin on Mon Mar 31 18:46:01 GMT 2025 , Edited by admin on Mon Mar 31 18:46:01 GMT 2025
PRIMARY
FDA UNII
FAZ43R62D7
Created by admin on Mon Mar 31 18:46:01 GMT 2025 , Edited by admin on Mon Mar 31 18:46:01 GMT 2025
PRIMARY
CAS
783240-86-8
Created by admin on Mon Mar 31 18:46:01 GMT 2025 , Edited by admin on Mon Mar 31 18:46:01 GMT 2025
PRIMARY
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