1-Benzyl-4-(5,6-dimethoxy-1-oxoindan-2-yl)methylpyridinium bromide

Details

Stereochemistry	RACEMIC
Molecular Formula	C24H24NO3.Br
Molecular Weight	454.356
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-Benzyl-4-(5,6-dimethoxy-1-oxoindan-2-yl)methylpyridinium bromide

Structure Search

SMILES

[Br-].COC1=C(OC)C=C2C(=O)C(CC3=CC=[N+](CC4=CC=CC=C4)C=C3)CC2=C1

InChI

InChIKey=SJDPCJIYDYUWEN-UHFFFAOYSA-M

InChI=1S/C24H24NO3.BrH/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18;/h3-11,14-15,20H,12-13,16H2,1-2H3;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	C24H24NO3
Molecular Weight	374.4523
Charge	1
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 17:37:56 GMT 2025` Edited by `admin` on `Wed Apr 02 17:37:56 GMT 2025`
Record UNII	KR2BJ9F9SW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-[(2,3-Dihydro-5,6-dimethoxy-1-oxo-1H-inden-2-yl)methyl]-1-(phenylmethyl)pyridinium bromide (1:1)

Preferred Name

English

1-Benzyl-4-(5,6-dimethoxy-1-oxoindan-2-yl)methylpyridinium bromide

Systematic Name

English

Pyridinium, 4-[(2,3-dihydro-5,6-dimethoxy-1-oxo-1H-inden-2-yl)methyl]-1-(phenylmethyl)-, bromide (1:1)

Systematic Name

English

Pyridinium, 4-[(2,3-dihydro-5,6-dimethoxy-1-oxo-1H-inden-2-yl)methyl]-1-(phenylmethyl)-, bromide

Systematic Name

English

Code System Code Type Description

FDA UNII

KR2BJ9F9SW

Created by admin on Wed Apr 02 17:37:56 GMT 2025 , Edited by admin on Wed Apr 02 17:37:56 GMT 2025

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EPA CompTox

DTXSID50436739

Created by admin on Wed Apr 02 17:37:56 GMT 2025 , Edited by admin on Wed Apr 02 17:37:56 GMT 2025

PRIMARY

PUBCHEM

10204472

Created by admin on Wed Apr 02 17:37:56 GMT 2025 , Edited by admin on Wed Apr 02 17:37:56 GMT 2025

PRIMARY

CAS

231283-82-2

Created by admin on Wed Apr 02 17:37:56 GMT 2025 , Edited by admin on Wed Apr 02 17:37:56 GMT 2025

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Related Record Type Details


					AS2QT83Y3Z

1-Benzyl-4-(5,6-dimethoxy-1-oxo-indan-2-ylmethyl)-pyridinium

PARENT -> SALT/SOLVATE

Amount: