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Details

Stereochemistry RACEMIC
Molecular Formula C20H24NO3
Molecular Weight 326.4095
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of BENZOPYRRONIUM

SMILES

C[N+]1(C)CCC(C1)OC(=O)C(O)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChIKey=DKSDLGLRESJFOT-UHFFFAOYSA-N
InChI=1S/C20H24NO3/c1-21(2)14-13-18(15-21)24-19(22)20(23,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18,23H,13-15H2,1-2H3/q+1

HIDE SMILES / InChI

Molecular Formula C20H23NO3
Molecular Weight 325.4015
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 17:08:45 GMT 2023
Edited
by admin
on Fri Dec 15 17:08:45 GMT 2023
Record UNII
TK9125L14K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZOPYRRONIUM
Common Name English
BENZOPYRRONIUM CATION
Common Name English
1,1-DIMETHYL-3-HYDROXYPYRROLIDINIUM BENZILATE
Systematic Name English
PYRROLIDINIUM, 3-((2-HYDROXY-2,2-DIPHENYLACETYL)OXY)-1,1-DIMETHYL-
Systematic Name English
BENZOPYRRONIUM ION
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C29704
Created by admin on Fri Dec 15 17:08:45 GMT 2023 , Edited by admin on Fri Dec 15 17:08:45 GMT 2023
Code System Code Type Description
CAS
765836-13-3
Created by admin on Fri Dec 15 17:08:45 GMT 2023 , Edited by admin on Fri Dec 15 17:08:45 GMT 2023
PRIMARY
FDA UNII
TK9125L14K
Created by admin on Fri Dec 15 17:08:45 GMT 2023 , Edited by admin on Fri Dec 15 17:08:45 GMT 2023
PRIMARY
PUBCHEM
71861
Created by admin on Fri Dec 15 17:08:45 GMT 2023 , Edited by admin on Fri Dec 15 17:08:45 GMT 2023
PRIMARY
NCI_THESAURUS
C87445
Created by admin on Fri Dec 15 17:08:45 GMT 2023 , Edited by admin on Fri Dec 15 17:08:45 GMT 2023
PRIMARY
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