Benzoylcholine iodide

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H18NO2.I
Molecular Weight	335.1813
Optical Activity	NONE
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Benzoylcholine iodide

Structure Search

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	HI
Molecular Weight	127.91241
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C12H18NO2
Molecular Weight	208.2768
Charge	1
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:37:44 GMT 2025` Edited by `admin` on `Tue Apr 01 19:37:44 GMT 2025`
Record UNII	CA3CYG3NCH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-19888

Preferred Name

English

Benzoylcholine iodide

Systematic Name

English

(2-Benzoyloxyethyl)trimethylammonium iodide

Systematic Name

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 Tue Apr 01 19:37:44 GMT 2025 , Edited by admin on Tue Apr 01 19:37:44 GMT 2025

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ECHA (EC/EINECS)

241-517-3

Created by admin on Tue Apr 01 19:37:44 GMT 2025 , Edited by admin on Tue Apr 01 19:37:44 GMT 2025

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FDA UNII

CA3CYG3NCH

Created by admin on Tue Apr 01 19:37:44 GMT 2025 , Edited by admin on Tue Apr 01 19:37:44 GMT 2025

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EPA CompTox

DTXSID30884552

Created by admin on Tue Apr 01 19:37:44 GMT 2025 , Edited by admin on Tue Apr 01 19:37:44 GMT 2025

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NSC

19888

Created by admin on Tue Apr 01 19:37:44 GMT 2025 , Edited by admin on Tue Apr 01 19:37:44 GMT 2025

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PUBCHEM

87143

Created by admin on Tue Apr 01 19:37:44 GMT 2025 , Edited by admin on Tue Apr 01 19:37:44 GMT 2025

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