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Details

Stereochemistry MIXED
Molecular Formula C16H23N4O3
Molecular Weight 319.3788
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of 1-[2-(2,5-Dimethoxyphenyl)-2-oxoethyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.1<SUP>3,7</SUP>]decane

SMILES

COC1=CC=C(OC)C(=C1)C(=O)C[N+]23CN4CN(CN(C4)C2)C3

InChI

InChIKey=LJMAVPONMLBFLQ-UHFFFAOYSA-N
InChI=1S/C16H23N4O3/c1-22-13-3-4-16(23-2)14(5-13)15(21)6-20-10-17-7-18(11-20)9-19(8-17)12-20/h3-5H,6-12H2,1-2H3/q+1

HIDE SMILES / InChI

Molecular Formula C16H23N4O3
Molecular Weight 319.3788
Charge 1
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 20:52:33 GMT 2025
Edited
by admin
on Wed Apr 02 20:52:33 GMT 2025
Record UNII
L5NDY7GT6A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-[2-(2,5-Dimethoxyphenyl)-2-oxoethyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.1<SUP>3,7</SUP>]decane
Systematic Name English
3,5,7-Triaza-1-azoniatricyclo[3.3.1.1<SUP>3,7</SUP>]decane, 1-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-
Preferred Name English
Code System Code Type Description
FDA UNII
L5NDY7GT6A
Created by admin on Wed Apr 02 20:52:33 GMT 2025 , Edited by admin on Wed Apr 02 20:52:33 GMT 2025
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CAS
902798-00-9
Created by admin on Wed Apr 02 20:52:33 GMT 2025 , Edited by admin on Wed Apr 02 20:52:33 GMT 2025
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