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Details

Stereochemistry ACHIRAL
Molecular Formula C22H26ClN2
Molecular Weight 353.908
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 1

SHOW SMILES / InChI
Structure of 2-[2-[4-[(2-Chloroethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl-3H-indolium

SMILES

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

InChI

InChIKey=VBYTYJCVXMXUBS-UHFFFAOYSA-N
InChI=1S/C22H26ClN2/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/h5-14H,15-16H2,1-4H3/q+1

HIDE SMILES / InChI

Molecular Formula C22H26ClN2
Molecular Weight 353.908
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:49:06 GMT 2025
Edited
by admin
on Wed Apr 02 17:49:06 GMT 2025
Record UNII
W4A87AFU9H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3H-Indolium, 2-[2-[4-[(2-chloroethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl-, (E)-
Preferred Name English
2-[2-[4-[(2-Chloroethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl-3H-indolium
Systematic Name English
3H-Indolium, 2-[2-[4-[(2-chloroethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl-
Systematic Name English
N-(2-chloroethyl)-N-methyl-4-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline
Systematic Name English
2-[(1E)-2-{4-[(2-chloroethyl)(methyl)amino]phenyl}ethenyl]-1,3,3-trimethyl-3H-indol-1-ium
Systematic Name English
Code System Code Type Description
PUBCHEM
19286
Created by admin on Wed Apr 02 17:49:06 GMT 2025 , Edited by admin on Wed Apr 02 17:49:06 GMT 2025
PRIMARY
EPA CompTox
DTXSID10274634
Created by admin on Wed Apr 02 17:49:06 GMT 2025 , Edited by admin on Wed Apr 02 17:49:06 GMT 2025
PRIMARY
CAS
51002-58-5
Created by admin on Wed Apr 02 17:49:06 GMT 2025 , Edited by admin on Wed Apr 02 17:49:06 GMT 2025
PRIMARY
CAS
41261-03-4
Created by admin on Wed Apr 02 17:49:06 GMT 2025 , Edited by admin on Wed Apr 02 17:49:06 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY
FDA UNII
W4A87AFU9H
Created by admin on Wed Apr 02 17:49:06 GMT 2025 , Edited by admin on Wed Apr 02 17:49:06 GMT 2025
PRIMARY