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Details

Stereochemistry ACHIRAL
Molecular Formula C20H33N2O3.Cl.I2
Molecular Weight 638.75
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-((2-UNDECANOYLOXYETHYLCARBAMOYL)METHYL)PYRIDINIUM CHLORIDE-IODINE

SMILES

[Cl-].II.CCCCCCCCCCC(=O)OCCNC(=O)C[N+]1=CC=CC=C1

InChI

InChIKey=CEXGPLNEWFGYMI-UHFFFAOYSA-N
InChI=1S/C20H32N2O3.ClH.I2/c1-2-3-4-5-6-7-8-10-13-20(24)25-17-14-21-19(23)18-22-15-11-9-12-16-22;;1-2/h9,11-12,15-16H,2-8,10,13-14,17-18H2,1H3;1H;

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula I2
Molecular Weight 253.8089
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C20H33N2O3
Molecular Weight 349.4876
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:04:19 GMT 2023
Edited
by admin
on Sat Dec 16 10:04:19 GMT 2023
Record UNII
7K97V2S6RT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-((2-UNDECANOYLOXYETHYLCARBAMOYL)METHYL)PYRIDINIUM CHLORIDE-IODINE
Systematic Name English
1-(2-OXO-2-((2-(UNDECANOYLOXY)ETHYL)AMINO)ETHYL)PYRIDIN-1-IUM CHLORIDE-IODINE
Systematic Name English
Code System Code Type Description
PUBCHEM
90479218
Created by admin on Sat Dec 16 10:04:19 GMT 2023 , Edited by admin on Sat Dec 16 10:04:19 GMT 2023
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FDA UNII
7K97V2S6RT
Created by admin on Sat Dec 16 10:04:19 GMT 2023 , Edited by admin on Sat Dec 16 10:04:19 GMT 2023
PRIMARY