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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H24NO3
Molecular Weight 278.3667
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of LAS-188638

SMILES

O[C@H]1C[N+]3(CCCOC2=CC=C(O)C=C2)CCC1CC3

InChI

InChIKey=GEEJJFZMTJKMFZ-PWZRNIHTSA-O
InChI=1S/C16H23NO3/c18-14-2-4-15(5-3-14)20-11-1-8-17-9-6-13(7-10-17)16(19)12-17/h2-5,13,16,19H,1,6-12H2/p+1/t13?,16-,17?/m0/s1

HIDE SMILES / InChI

Molecular Formula C16H23NO3
Molecular Weight 277.3587
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
Y19J0IW68J
Record Status Validated (UNII)
Record Version