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Details

Stereochemistry MIXED
Molecular Formula C19H25NS
Molecular Weight 303.49
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Benocyclidine H-3

SMILES

[3H]C1CCC(CC1[3H])(N2CCCCC2)C3=CC4=CC=CC=C4S3

InChI

InChIKey=RGSVXQJPSWZXOP-NAMLXICXSA-N
InChI=1S/C19H25NS/c1-5-11-19(12-6-1,20-13-7-2-8-14-20)18-15-16-9-3-4-10-17(16)21-18/h3-4,9-10,15H,1-2,5-8,11-14H2/i1T,5T

HIDE SMILES / InChI

Molecular Formula C19H25NS
Molecular Weight 303.49
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
PUU97WW7JB
Record Status Validated (UNII)
Record Version