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Details

Stereochemistry EPIMERIC
Molecular Formula C20H24NO4
Molecular Weight 342.4089
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 5
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of Methylnaloxonium

SMILES

C[N+]1(CC=C)CC[C@]23[C@H]4OC5=C(O)C=CC(C[C@@H]1[C@]2(O)CCC4=O)=C35

InChI

InChIKey=PCSQOABIHJXZMR-MGQKVWQSSA-O
InChI=1S/C20H23NO4/c1-3-9-21(2)10-8-19-16-12-4-5-13(22)17(16)25-18(19)14(23)6-7-20(19,24)15(21)11-12/h3-5,15,18,24H,1,6-11H2,2H3/p+1/t15-,18+,19+,20-,21?/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H24NO4
Molecular Weight 342.4089
Charge 1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 4 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
R4755TU8QX
Record Status Validated (UNII)
Record Version