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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H22NOS2.Cl
Molecular Weight 355.946
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TIMEPIDIUM CHLORIDE, (S)-

SMILES

[Cl-].CO[C@H]1CC(C[N+](C)(C)C1)=C(C2=CC=CS2)C3=CC=CS3

InChI

InChIKey=QKMGSNFPZNTQHE-UQKRIMTDSA-M
InChI=1S/C17H22NOS2.ClH/c1-18(2)11-13(10-14(12-18)19-3)17(15-6-4-8-20-15)16-7-5-9-21-16;/h4-9,14H,10-12H2,1-3H3;1H/q+1;/p-1/t14-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C17H22NOS2
Molecular Weight 320.493
Charge 1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 1 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula ClH
Molecular Weight 36.461
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
P0AW5NMA9S
Record Status Validated (UNII)
Record Version