1-(CARBOXYLATOMETHYL)-2,4-DIMETHYLPYRIDINIUM

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H11NO2
Molecular Weight	165.1891
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-(CARBOXYLATOMETHYL)-2,4-DIMETHYLPYRIDINIUM

Structure Search

SMILES

CC1=CC(C)=[N+](CC([O-])=O)C=C1

InChI

InChIKey=LRCFAVHRIIYRCZ-UHFFFAOYSA-N

InChI=1S/C9H11NO2/c1-7-3-4-10(6-9(11)12)8(2)5-7/h3-5H,6H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C9H11NO2
Molecular Weight	165.1891
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 `Tue Apr 01 18:29:15 GMT 2025` Edited by `admin` on `Tue Apr 01 18:29:15 GMT 2025`
Record UNII	S2D3Y6IDZ8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PYRIDINIUM, 1-(CARBOXYMETHYL)-2,4-DIMETHYL-, INNER SALT

Preferred Name

English

1-(CARBOXYLATOMETHYL)-2,4-DIMETHYLPYRIDINIUM

Systematic Name

English

Code System Code Type Description

FDA UNII

S2D3Y6IDZ8

Created by admin on Tue Apr 01 18:29:15 GMT 2025 , Edited by admin on Tue Apr 01 18:29:15 GMT 2025

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CAS

68092-50-2

Created by admin on Tue Apr 01 18:29:15 GMT 2025 , Edited by admin on Tue Apr 01 18:29:15 GMT 2025

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PUBCHEM

3034782

Created by admin on Tue Apr 01 18:29:15 GMT 2025 , Edited by admin on Tue Apr 01 18:29:15 GMT 2025

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ECHA (EC/EINECS)

268-463-3

Created by admin on Tue Apr 01 18:29:15 GMT 2025 , Edited by admin on Tue Apr 01 18:29:15 GMT 2025

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EPA CompTox

DTXSID6071083

Created by admin on Tue Apr 01 18:29:15 GMT 2025 , Edited by admin on Tue Apr 01 18:29:15 GMT 2025

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