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Details

Stereochemistry ACHIRAL
Molecular Formula C9H14N.I
Molecular Weight 263.1186
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PHENYLTRIMETHYLAMMONIUM IODIDE

SMILES

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

InChI

InChIKey=KKLAORVGAKUOPZ-UHFFFAOYSA-M
InChI=1S/C9H14N.HI/c1-10(2,3)9-7-5-4-6-8-9;/h4-8H,1-3H3;1H/q+1;/p-1

HIDE SMILES / InChI

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

Molecular Formula C9H14N
Molecular Weight 136.2142
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

Approval Year

Substance Class Chemical
Record UNII
4O888XQ7FP
Record Status Validated (UNII)
Record Version