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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H24NO3.Br
Molecular Weight 406.313
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZOPYRRONIUM BROMIDE, (S)-

SMILES

[Br-].C[N+]1(C)CC[C@@H](C1)OC(=O)C(O)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChIKey=GXDDWKSWODZCSV-FERBBOLQSA-M
InChI=1S/C20H24NO3.BrH/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;1H/q+1;/p-1/t18-;/m0./s1

HIDE SMILES / InChI

Molecular Formula BrH
Molecular Weight 80.912
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C20H23NO3
Molecular Weight 325.4015
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:26:33 GMT 2023
Edited
by admin
on Sat Dec 16 11:26:33 GMT 2023
Record UNII
3F29M6125T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZOPYRRONIUM BROMIDE, (S)-
Common Name English
PYRROLIDINIUM, 3-((2-HYDROXY-2,2-DIPHENYLACETYL)OXY)-1,1-DIMETHYL-, BROMIDE (1:1), (S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
76965753
Created by admin on Sat Dec 16 11:26:33 GMT 2023 , Edited by admin on Sat Dec 16 11:26:33 GMT 2023
PRIMARY
FDA UNII
3F29M6125T
Created by admin on Sat Dec 16 11:26:33 GMT 2023 , Edited by admin on Sat Dec 16 11:26:33 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER