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Details

Stereochemistry RACEMIC
Molecular Formula C16H20NO.Br
Molecular Weight 322.24
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of QUINDONIUM BROMIDE, CIS-

SMILES

[Br-].[H][C@@]12CCC[C@]1([H])[N+]3=C(CC2)C4=CC=C(O)C=C4CC3

InChI

InChIKey=OUILVKYDBNPYBM-JDOFTSHGSA-N
InChI=1S/C16H19NO.BrH/c18-13-5-6-14-12(10-13)8-9-17-15-3-1-2-11(15)4-7-16(14)17;/h5-6,10-11,15H,1-4,7-9H2;1H/t11-,15-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C16H19NO
Molecular Weight 241.3282
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

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

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:13:30 GMT 2023
Edited
by admin
on Fri Dec 15 15:13:30 GMT 2023
Record UNII
271XMD080E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
QUINDONIUM BROMIDE, CIS-
Common Name English
1H-BENZO(A)CYCLOPENTA(F)QUINOLIZINIUM, 2,3,3A,5,6,11,12,12A-OCTAHYDRO-8-HYDROXY-, BROMIDE, (3AR,12AR)-REL-
Systematic Name English
Code System Code Type Description
FDA UNII
271XMD080E
Created by admin on Fri Dec 15 15:13:30 GMT 2023 , Edited by admin on Fri Dec 15 15:13:30 GMT 2023
PRIMARY
PUBCHEM
72941492
Created by admin on Fri Dec 15 15:13:30 GMT 2023 , Edited by admin on Fri Dec 15 15:13:30 GMT 2023
PRIMARY
CAS
10197-93-0
Created by admin on Fri Dec 15 15:13:30 GMT 2023 , Edited by admin on Fri Dec 15 15:13:30 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY