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Details

Stereochemistry ACHIRAL
Molecular Formula C7H14ClN2.F6P
Molecular Weight 306.617
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 2-CHLORO-1,3-BIS(DIMETHYLAMINO)TRIMETHINIUM HEXAFLUOROPHOSPHATE

SMILES

F[P-](F)(F)(F)(F)F.CN(C)\C=C(/Cl)C=[N+](C)C

InChI

InChIKey=PIUHAULDXSPPQV-UHFFFAOYSA-N
InChI=1S/C7H14ClN2.F6P/c1-9(2)5-7(8)6-10(3)4;1-7(2,3,4,5)6/h5-6H,1-4H3;/q+1;-1

HIDE SMILES / InChI

Molecular Formula C7H14ClN2
Molecular Weight 161.652
Charge 1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Molecular Formula F6P
Molecular Weight 144.9642
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
X3ESZ1676P
Record Status Validated (UNII)
Record Version