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Details

Stereochemistry ACHIRAL
Molecular Formula C12H19N4.Br
Molecular Weight 299.21
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 8-(2-Pyrimidinyl)-8-aza-5-azoniaspiro[4.5]decane bromide

SMILES

[Br-].C1CC[N+]2(C1)CCN(CC2)C3=NC=CC=N3

InChI

InChIKey=OYIPPQBBPVTVTR-UHFFFAOYSA-M
InChI=1S/C12H19N4.BrH/c1-2-9-16(8-1)10-6-15(7-11-16)12-13-4-3-5-14-12;/h3-5H,1-2,6-11H2;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula C12H19N4
Molecular Weight 219.3061
Charge 1
Count
Stereochemistry ACHIRAL
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 Wed Apr 02 20:52:54 GMT 2025
Edited
by admin
on Wed Apr 02 20:52:54 GMT 2025
Record UNII
F8T68T53GB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
8-(2-Pyrimidinyl)-8-aza-5-azoniaspiro[4.5]decane bromide
Systematic Name English
8-(Pyrimidin-2-yl)-5,8-diazaspiro[4.5]decan-5-ium bromide
Preferred Name English
8-Aza-5-azoniaspiro[4.5]decane, 8-(2-pyrimidinyl)-, bromide (1:1)
Systematic Name English
8-Aza-5-azoniaspiro[4.5]decane, 8-(2-pyrimidinyl)-, bromide
Systematic Name English
Code System Code Type Description
FDA UNII
F8T68T53GB
Created by admin on Wed Apr 02 20:52:54 GMT 2025 , Edited by admin on Wed Apr 02 20:52:54 GMT 2025
PRIMARY
PUBCHEM
657505
Created by admin on Wed Apr 02 20:52:54 GMT 2025 , Edited by admin on Wed Apr 02 20:52:54 GMT 2025
PRIMARY
CAS
81461-73-6
Created by admin on Wed Apr 02 20:52:54 GMT 2025 , Edited by admin on Wed Apr 02 20:52:54 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE