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Details

Stereochemistry ACHIRAL
Molecular Formula C22H26ClN2.H2O4P
Molecular Weight 450.895
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 2-(2-(4-((2-Chloroethyl)methylamino)phenyl)vinyl)-1,3,3-trimethyl-3H-indolium dihydrogen phosphate

SMILES

OP(O)([O-])=O.CN(CCCl)C1=CC=C(\C=C\C2=[N+](C)C3=CC=CC=C3C2(C)C)C=C1

InChI

InChIKey=SUFUIVWPRIQUCS-UHFFFAOYSA-M
InChI=1S/C22H26ClN2.H3O4P/c1-22(2)19-7-5-6-8-20(19)25(4)21(22)14-11-17-9-12-18(13-10-17)24(3)16-15-23;1-5(2,3)4/h5-14H,15-16H2,1-4H3;(H3,1,2,3,4)/q+1;/p-1

HIDE SMILES / InChI

Approval Year

Name Type Language
2-(2-(4-((2-Chloroethyl)methylamino)phenyl)vinyl)-1,3,3-trimethyl-3H-indolium dihydrogen phosphate
Common Name English
3H-Indolium, 2-[2-[4-[(2-chloroethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl-, phosphate (1:1)
Preferred Name English
Code System Code Type Description
CAS
83969-09-9
Created by admin on Wed Apr 02 17:18:00 GMT 2025 , Edited by admin on Wed Apr 02 17:18:00 GMT 2025
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PUBCHEM
165363760
Created by admin on Wed Apr 02 17:18:00 GMT 2025 , Edited by admin on Wed Apr 02 17:18:00 GMT 2025
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FDA UNII
PB84NE43TD
Created by admin on Wed Apr 02 17:18:00 GMT 2025 , Edited by admin on Wed Apr 02 17:18:00 GMT 2025
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EPA CompTox
DTXSID701029971
Created by admin on Wed Apr 02 17:18:00 GMT 2025 , Edited by admin on Wed Apr 02 17:18:00 GMT 2025
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