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Details

Stereochemistry ACHIRAL
Molecular Formula C14H23N2O2.I
Molecular Weight 378.2491
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TL-1238

SMILES

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

InChI

InChIKey=HBVVWBFVSLUJNP-UHFFFAOYSA-M
InChI=1S/C14H23N2O2.HI/c1-6-16(5,7-2)12-9-8-10-13(11-12)18-14(17)15(3)4;/h8-11H,6-7H2,1-5H3;1H/q+1;/p-1

HIDE SMILES / InChI

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

Molecular Formula C14H23N2O2
Molecular Weight 251.3446
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

Approval Year

Substance Class Chemical
Record UNII
9ASN7N3BZ5
Record Status Validated (UNII)
Record Version