ISOTRIGONELLINE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H7NO2
Molecular Weight	137.136
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[N+]1=CC=C(C=C1)C([O-])=O

InChI

InChIKey=QITIEADGFBVLCV-UHFFFAOYSA-N

InChI=1S/C7H7NO2/c1-8-4-2-6(3-5-8)7(9)10/h2-5H,1H3

HIDE SMILES / InChI

Approval Year

Patents

Name

Type

Language

ISOTRIGONELLINE

Common Name

English

4-CARBOXY-1-METHYLPYRIDINIUM BETAINE

Preferred Name

English

4-CARBOXY-1-METHYLPYRIDINIUMHYDROXIDE, INNER SALT

Systematic Name

English

PYRIDINIUM, 4-CARBOXY-1-METHYL-, INNER SALT

Common Name

English

PYRIDINIUM, 4-CARBOXY-1-METHYL-, HYDROXIDE, INNER SALT

Systematic Name

English

ISONICOTINIC ACID N-METHYL.BETA.INE

Common Name

English

N-METHYLISONICOTINATE

Systematic Name

English

Code System Code Type Description

PUBCHEM

17157

Created by admin on Mon Mar 31 22:00:55 GMT 2025 , Edited by admin on Mon Mar 31 22:00:55 GMT 2025

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FDA UNII

H684MTM055

Created by admin on Mon Mar 31 22:00:55 GMT 2025 , Edited by admin on Mon Mar 31 22:00:55 GMT 2025

PRIMARY

CAS

824-77-1

Created by admin on Mon Mar 31 22:00:55 GMT 2025 , Edited by admin on Mon Mar 31 22:00:55 GMT 2025

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SUBSTANCE RECORD


					H684MTM055

ISOTRIGONELLINE