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

Details

Stereochemistry ACHIRAL
Molecular Formula C24H28N3.C2H3O2
Molecular Weight 417.5432
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (4-((4-(DIMETHYLAMINO)PHENYL)(4-(METHYLAMINO)PHENYL)METHYLENE)CYCLOHEXA-2,5-DIEN-1-YLIDENE)DIMETHYLAMMONIUM ACETATE

SMILES

CC([O-])=O.CNC1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)=C3C=CC(C=C3)=[N+](C)C

InChI

InChIKey=QLHKOYRLMLXSDU-UHFFFAOYSA-N
InChI=1S/C24H27N3.C2H4O2/c1-25-21-12-6-18(7-13-21)24(19-8-14-22(15-9-19)26(2)3)20-10-16-23(17-11-20)27(4)5;1-2(3)4/h6-17H,1-5H3;1H3,(H,3,4)

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
(4-((4-(DIMETHYLAMINO)PHENYL)(4-(METHYLAMINO)PHENYL)METHYLENE)CYCLOHEXA-2,5-DIEN-1-YLIDENE)DIMETHYLAMMONIUM ACETATE
Systematic Name English
METHANAMINIUM, N-(4-((4-(DIMETHYLAMINO)PHENYL)(4-(METHYLAMINO)PHENYL)METHYLENE)-2,5-CYCLOHEXADIEN-1-YLIDENE)-N-METHYL-, ACETATE
Preferred Name English
Code System Code Type Description
ECHA (EC/EINECS)
282-846-2
Created by admin on Wed Apr 02 08:59:54 GMT 2025 , Edited by admin on Wed Apr 02 08:59:54 GMT 2025
PRIMARY
CAS
84434-47-9
Created by admin on Wed Apr 02 08:59:54 GMT 2025 , Edited by admin on Wed Apr 02 08:59:54 GMT 2025
PRIMARY
PUBCHEM
3019872
Created by admin on Wed Apr 02 08:59:54 GMT 2025 , Edited by admin on Wed Apr 02 08:59:54 GMT 2025
PRIMARY
FDA UNII
6KR2UH7034
Created by admin on Wed Apr 02 08:59:54 GMT 2025 , Edited by admin on Wed Apr 02 08:59:54 GMT 2025
PRIMARY
EPA CompTox
DTXSID50233407
Created by admin on Wed Apr 02 08:59:54 GMT 2025 , Edited by admin on Wed Apr 02 08:59:54 GMT 2025
PRIMARY
NIH
NCATS
PRIVACY NOTICE
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966