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Details

Stereochemistry ACHIRAL
Molecular Formula C11H18N.I
Molecular Weight 291.1718
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Trimethylphenethylammonium iodide

SMILES

[I-].C[N+](C)(C)CCC1=CC=CC=C1

InChI

InChIKey=OFZAYFUSFITYES-UHFFFAOYSA-M
InChI=1S/C11H18N.HI/c1-12(2,3)10-9-11-7-5-4-6-8-11;/h4-8H,9-10H2,1-3H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula C11H18N
Molecular Weight 164.2673
Charge 1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity NONE

Molecular Formula HI
Molecular Weight 127.91241
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:50:08 GMT 2025
Edited
by admin
on Tue Apr 01 19:50:08 GMT 2025
Record UNII
3NQK3F99HH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Trimethylphenethylammonium iodide
Systematic Name English
NSC-1848
Preferred Name English
Ammonium, trimethylphenethyl-, iodide
Systematic Name English
Phenethyl-trimethylammonium iodide
Systematic Name English
Benzeneethanaminium, N,N,N-trimethyl-, iodide
Systematic Name English
NSC-42282
Code English
Ammonium, phenethyltrimethyl-, iodide
Systematic Name English
Benzeneethanaminium, N,N,N-trimethyl-, iodide (1:1)
Systematic Name English
Code System Code Type Description
NSC
1848
Created by admin on Tue Apr 01 19:50:08 GMT 2025 , Edited by admin on Tue Apr 01 19:50:08 GMT 2025
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FDA UNII
3NQK3F99HH
Created by admin on Tue Apr 01 19:50:08 GMT 2025 , Edited by admin on Tue Apr 01 19:50:08 GMT 2025
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CAS
1077-11-8
Created by admin on Tue Apr 01 19:50:08 GMT 2025 , Edited by admin on Tue Apr 01 19:50:08 GMT 2025
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NSC
42282
Created by admin on Tue Apr 01 19:50:08 GMT 2025 , Edited by admin on Tue Apr 01 19:50:08 GMT 2025
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EPA CompTox
DTXSID80910496
Created by admin on Tue Apr 01 19:50:08 GMT 2025 , Edited by admin on Tue Apr 01 19:50:08 GMT 2025
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PUBCHEM
14107
Created by admin on Tue Apr 01 19:50:08 GMT 2025 , Edited by admin on Tue Apr 01 19:50:08 GMT 2025
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