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Details

Stereochemistry ACHIRAL
Molecular Formula C9H23NO3PS.I
Molecular Weight 383.227
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ECHOTHIOPHATE IODIDE

SMILES

[I-].CCOP(=O)(OCC)SCC[N+](C)(C)C

InChI

InChIKey=OVXQHPWHMXOFRD-UHFFFAOYSA-M
InChI=1S/C9H23NO3PS.HI/c1-6-12-14(11,13-7-2)15-9-8-10(3,4)5;/h6-9H2,1-5H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula C9H23NO3PS
Molecular Weight 256.323
Charge 1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula HI
Molecular Weight 127.9124
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
BA9QH3P00T
Record Status Validated (UNII)
Record Version