1-Benzyl-4-(5,6-dimethoxy-1-oxo-indane-2-carbonyl)-pyridinium chloride

Details

Stereochemistry	RACEMIC
Molecular Formula	C24H22NO4.Cl
Molecular Weight	423.889
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-Benzyl-4-(5,6-dimethoxy-1-oxo-indane-2-carbonyl)-pyridinium chloride

Structure Search

SMILES

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

InChI

InChIKey=ZQKYQNZQKAWSJJ-UHFFFAOYSA-M

InChI=1S/C24H22NO4.ClH/c1-28-21-13-18-12-20(24(27)19(18)14-22(21)29-2)23(26)17-8-10-25(11-9-17)15-16-6-4-3-5-7-16;/h3-11,13-14,20H,12,15H2,1-2H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula	Cl
Molecular Weight	35.453
Charge	-1
Count

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

Molecular Formula	C24H22NO4
Molecular Weight	388.4358
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 17:41:37 GMT 2025` Edited by `admin` on `Wed Apr 02 17:41:37 GMT 2025`
Record UNII	G4G4WPY6JC
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)carbonyl]-1-(phenylmethyl)pyridinium chloride

Preferred Name

English

1-Benzyl-4-(5,6-dimethoxy-1-oxo-indane-2-carbonyl)-pyridinium chloride

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

PUBCHEM

68998334

Created by admin on Wed Apr 02 17:41:37 GMT 2025 , Edited by admin on Wed Apr 02 17:41:37 GMT 2025

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CAS

923571-16-8

Created by admin on Wed Apr 02 17:41:37 GMT 2025 , Edited by admin on Wed Apr 02 17:41:37 GMT 2025

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FDA UNII

G4G4WPY6JC

Created by admin on Wed Apr 02 17:41:37 GMT 2025 , Edited by admin on Wed Apr 02 17:41:37 GMT 2025

PRIMARY

Related Record Type Details


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

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