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Details

Stereochemistry ACHIRAL
Molecular Formula C15H25N2O2.I
Molecular Weight 392.2757
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TL-599

SMILES

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

InChI

InChIKey=DBMNNBLVHXQGOH-UHFFFAOYSA-M
InChI=1S/C15H25N2O2.HI/c1-11(2)13-10-12(19-15(18)16(3)4)8-9-14(13)17(5,6)7;/h8-11H,1-7H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula C15H25N2O2
Molecular Weight 265.3712
Charge 1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity NONE

Molecular Formula I
Molecular Weight 126.90447
Charge -1
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
SD9T6QM997
Record Status Validated (UNII)
Record Version