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Details

Stereochemistry ACHIRAL
Molecular Formula C19H31N2O3.Cl.I2
Molecular Weight 624.723
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

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

InChI

InChIKey=SHMSFEWVZCPQQA-UHFFFAOYSA-N
InChI=1S/C19H30N2O3.ClH.I2/c1-2-3-4-5-6-7-9-12-19(23)24-16-13-20-18(22)17-21-14-10-8-11-15-21;;1-2/h8,10-11,14-15H,2-7,9,12-13,16-17H2,1H3;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 C19H31N2O3
Molecular Weight 335.461
Charge 1
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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:43:01 GMT 2023
Edited
by admin
on Sat Dec 16 10:43:01 GMT 2023
Record UNII
6Z4DE1BSNR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-((2-DECANOYLOXYETHYLCARBAMOYL)METHYL)PYRIDINIUM CHLORIDE-IODINE
Systematic Name English
1-(2-((2-(DECANOYLOXY)ETHYL)AMINO)-2-OXOETHYL)PYRIDIN-1-IUM CHLORIDE-IODINE
Systematic Name English
Code System Code Type Description
PUBCHEM
90478896
Created by admin on Sat Dec 16 10:43:01 GMT 2023 , Edited by admin on Sat Dec 16 10:43:01 GMT 2023
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FDA UNII
6Z4DE1BSNR
Created by admin on Sat Dec 16 10:43:01 GMT 2023 , Edited by admin on Sat Dec 16 10:43:01 GMT 2023
PRIMARY