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Details

Stereochemistry ACHIRAL
Molecular Formula C12H20N.I
Molecular Weight 305.1984
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Triethylphenylammonium iodide

SMILES

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

InChI

InChIKey=WMSWXWGJYOIACA-UHFFFAOYSA-M
InChI=1S/C12H20N.HI/c1-4-13(5-2,6-3)12-10-8-7-9-11-12;/h7-11H,4-6H2,1-3H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula C12H20N
Molecular Weight 178.2939
Charge 1
Count
MOL RATIO 1 MOL RATIO (average)
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
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
R4F2JME3JH
Record Status Validated (UNII)
Record Version