1-(2-(Benzoyloxy)ethyl)-4-(hydroxydiphenylmethyl)quinuclidin-1-ium bromide

Details

Stereochemistry	ACHIRAL
Molecular Formula	C29H32NO3.Br
Molecular Weight	522.473
Optical Activity	NONE
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-(2-(Benzoyloxy)ethyl)-4-(hydroxydiphenylmethyl)quinuclidin-1-ium bromide

Structure Search

SMILES

[Br-].OC(C1=CC=CC=C1)(C2=CC=CC=C2)C34CC[N+](CCOC(=O)C5=CC=CC=C5)(CC3)CC4

InChI

InChIKey=UYHCLLDIQQNVPF-UHFFFAOYSA-M

InChI=1S/C29H32NO3.BrH/c31-27(24-10-4-1-5-11-24)33-23-22-30-19-16-28(17-20-30,18-21-30)29(32,25-12-6-2-7-13-25)26-14-8-3-9-15-26;/h1-15,32H,16-23H2;1H/q+1;/p-1

HIDE SMILES / InChI

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

Molecular Formula	C29H32NO3
Molecular Weight	442.5693
Charge	1
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 19:48:29 GMT 2025` Edited by `admin` on `Wed Apr 02 19:48:29 GMT 2025`
Record UNII	AEY2WSQ4W2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1-(2-(Benzoyloxy)ethyl)-4-(hydroxydiphenylmethyl)quinuclidin-1-ium bromide

Systematic Name

English

1-Azoniabicyclo[2.2.2]octane, 1-[2-(benzoyloxy)ethyl]-4-(hydroxydiphenylmethyl)-, bromide (1:1)

Preferred Name

English

4-(Hydroxydiphenylmethyl)-1-[2-[(phenylcarbonyl)oxy]ethyl]-1-azabicyclo[2.2.2]octanium bromide

Systematic Name

English

Code System Code Type Description

CAS

869113-45-1

Created by admin on Wed Apr 02 19:48:29 GMT 2025 , Edited by admin on Wed Apr 02 19:48:29 GMT 2025

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FDA UNII

AEY2WSQ4W2

Created by admin on Wed Apr 02 19:48:29 GMT 2025 , Edited by admin on Wed Apr 02 19:48:29 GMT 2025

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PUBCHEM

11656568

Created by admin on Wed Apr 02 19:48:29 GMT 2025 , Edited by admin on Wed Apr 02 19:48:29 GMT 2025

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1-[2-(Benzoyloxy)ethyl]-4-(hydroxydiphenylmethyl)-1-azoniabicyclo[2.2.2]octane

PARENT -> SALT/SOLVATE

Amount: