U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C21H25N2O4
Molecular Weight 369.4342
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of 1,4-Bis[(4-carboxyphenyl)methyl]-1-methylpiperazinium

SMILES

C[N+]2(CC1=CC=C(C=C1)C(O)=O)CCN(CC3=CC=C(C=C3)C(O)=O)CC2

InChI

InChIKey=SFVYGHRBMPPZSI-UHFFFAOYSA-O
InChI=1S/C21H24N2O4/c1-23(15-17-4-8-19(9-5-17)21(26)27)12-10-22(11-13-23)14-16-2-6-18(7-3-16)20(24)25/h2-9H,10-15H2,1H3,(H-,24,25,26,27)/p+1

HIDE SMILES / InChI

Approval Year

Name Type Language
1,4-Bis[(4-carboxyphenyl)methyl]-1-methylpiperazinium
Systematic Name English
1,4-Bis(4-carboxybenzyl)-1-methylpiperazin-1-ium
Systematic Name English
Piperazinium, 1,4-bis[(4-carboxyphenyl)methyl]-1-methyl-
Systematic Name English
Code System Code Type Description
FDA UNII
RG84W76BWZ
Created by admin on Sat Dec 16 19:52:23 GMT 2023 , Edited by admin on Sat Dec 16 19:52:23 GMT 2023
PRIMARY
PUBCHEM
164185582
Created by admin on Sat Dec 16 19:52:23 GMT 2023 , Edited by admin on Sat Dec 16 19:52:23 GMT 2023
PRIMARY
CAS
1407229-73-5
Created by admin on Sat Dec 16 19:52:23 GMT 2023 , Edited by admin on Sat Dec 16 19:52:23 GMT 2023
PRIMARY