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Details

Stereochemistry ACHIRAL
Molecular Formula C10H10NO.CH3O4S
Molecular Weight 271.29
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 8-HYDROXY-1-METHYLQUINOLINIUM METHYL SULFATE

SMILES

COS([O-])(=O)=O.C[N+]1=CC=CC2=C1C(O)=CC=C2

InChI

InChIKey=CHEJLLKYVOCJJE-UHFFFAOYSA-N
InChI=1S/C10H9NO.CH4O4S/c1-11-7-3-5-8-4-2-6-9(12)10(8)11;1-5-6(2,3)4/h2-7H,1H3;1H3,(H,2,3,4)

HIDE SMILES / InChI

Molecular Formula CH3O4S
Molecular Weight 111.097
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 C10H10NO
Molecular Weight 160.1925
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

Patents

Substance Class Chemical
Record UNII
3D7I3E60ZR
Record Status Validated (UNII)
Record Version