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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-(CARBOXYMETHYL)-3,4-DIMETHYLPYRIDINIUM BETAINE

SMILES

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

InChI

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

HIDE SMILES / InChI

Approval Year

Name Type Language
PYRIDINIUM, 1-(CARBOXYMETHYL)DIMETHYL-, HYDROXIDE, INNER SALT
Preferred Name English
1-(CARBOXYMETHYL)-3,4-DIMETHYLPYRIDINIUM BETAINE
Common Name English
1-(CARBOXYLATOMETHYL)DIMETHYLPYRIDINIUM
Systematic Name English
PYRIDINIUM, 1-(CARBOXYMETHYL)DIMETHYL-, INNER SALT
Systematic Name English
Code System Code Type Description
CAS
85168-84-9
Created by admin on Mon Mar 31 23:17:25 GMT 2025 , Edited by admin on Mon Mar 31 23:17:25 GMT 2025
NON-SPECIFIC SUBSTITUTION
ECHA (EC/EINECS)
285-926-5
Created by admin on Mon Mar 31 23:17:25 GMT 2025 , Edited by admin on Mon Mar 31 23:17:25 GMT 2025
PRIMARY
EPA CompTox
DTXSID501005614
Created by admin on Mon Mar 31 23:17:25 GMT 2025 , Edited by admin on Mon Mar 31 23:17:25 GMT 2025
PRIMARY
FDA UNII
RUJ377X62Q
Created by admin on Mon Mar 31 23:17:25 GMT 2025 , Edited by admin on Mon Mar 31 23:17:25 GMT 2025
PRIMARY
CAS
73358-97-1
Created by admin on Mon Mar 31 23:17:25 GMT 2025 , Edited by admin on Mon Mar 31 23:17:25 GMT 2025
PRIMARY
PUBCHEM
119026220
Created by admin on Mon Mar 31 23:17:25 GMT 2025 , Edited by admin on Mon Mar 31 23:17:25 GMT 2025
PRIMARY