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Details

Stereochemistry ACHIRAL
Molecular Formula C12H18NO2.I
Molecular Weight 335.1813
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Benzoylcholine iodide

SMILES

[I-].C[N+](C)(C)CCOC(=O)C1=CC=CC=C1

InChI

InChIKey=XILQCEGWGBSDSH-UHFFFAOYSA-M
InChI=1S/C12H18NO2.HI/c1-13(2,3)9-10-15-12(14)11-7-5-4-6-8-11;/h4-8H,9-10H2,1-3H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula C12H18NO2
Molecular Weight 208.2768
Charge 1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula HI
Molecular Weight 127.9124
Charge 0
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 Sat Dec 16 12:42:00 GMT 2023
Edited
by admin
on Sat Dec 16 12:42:00 GMT 2023
Record UNII
CA3CYG3NCH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Benzoylcholine iodide
Systematic Name English
(2-Benzoyloxyethyl)trimethylammonium iodide
Systematic Name English
NSC-19888
Code English
Choline, iodide, benzoate
Systematic Name English
Ethanaminium, 2-(benzoyloxy)-N,N,N-trimethyl-, iodide (1:1)
Systematic Name English
Ethanaminium, 2-(benzoyloxy)-N,N,N-trimethyl-, iodide
Systematic Name English
Code System Code Type Description
CAS
17518-43-3
Created by admin on Sat Dec 16 12:42:01 GMT 2023 , Edited by admin on Sat Dec 16 12:42:01 GMT 2023
PRIMARY
ECHA (EC/EINECS)
241-517-3
Created by admin on Sat Dec 16 12:42:01 GMT 2023 , Edited by admin on Sat Dec 16 12:42:01 GMT 2023
PRIMARY
FDA UNII
CA3CYG3NCH
Created by admin on Sat Dec 16 12:42:01 GMT 2023 , Edited by admin on Sat Dec 16 12:42:01 GMT 2023
PRIMARY
EPA CompTox
DTXSID30884552
Created by admin on Sat Dec 16 12:42:01 GMT 2023 , Edited by admin on Sat Dec 16 12:42:01 GMT 2023
PRIMARY
NSC
19888
Created by admin on Sat Dec 16 12:42:01 GMT 2023 , Edited by admin on Sat Dec 16 12:42:01 GMT 2023
PRIMARY
PUBCHEM
87143
Created by admin on Sat Dec 16 12:42:01 GMT 2023 , Edited by admin on Sat Dec 16 12:42:01 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE