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Details

Stereochemistry MIXED
Molecular Formula C19H30NO2.Br
Molecular Weight 384.351
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-HYDROXY-1,1-DIMETHYLPIPERIDINIUM BROMIDE 3-METHYL-2-PHENYLVALERATE

SMILES

[Br-].CCC(C)C(C(=O)OC1CC[N+](C)(C)CC1)C2=CC=CC=C2

InChI

InChIKey=KYOYDSSHIFXLMW-UHFFFAOYSA-M
InChI=1S/C19H30NO2.BrH/c1-5-15(2)18(16-9-7-6-8-10-16)19(21)22-17-11-13-20(3,4)14-12-17;/h6-10,15,17-18H,5,11-14H2,1-4H3;1H/q+1;/p-1

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 C19H30NO2
Molecular Weight 304.447
Charge 1
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 05:44:24 UTC 2023
Edited
by admin
on Sat Dec 16 05:44:24 UTC 2023
Record UNII
BS4I581DAQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-HYDROXY-1,1-DIMETHYLPIPERIDINIUM BROMIDE 3-METHYL-2-PHENYLVALERATE
Systematic Name English
4-HYDROXY-1,1-DIMETHYL PIPERIDINIUM BROMIDE,3-METHYL-2-PHENYL VALERATE
Common Name English
PIPERIDINIUM, 1,1-DIMETHYL-4-((3-METHYL-1-OXO-2-PHENYLPENTYL)OXY)-, BROMIDE
Systematic Name English
4-HYDROXY-1,1-DIMETHYLPIPERIDINIUM BROMIDE, 3-METHYL-2-PHENYLVALERATE
Systematic Name English
PIPERIDINIUM, 1,1-DIMETHYL-4-((3-METHYL-1-OXO-2-PHENYLPENTYL)OXY)-, BROMIDE (1:1)
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID10905395
Created by admin on Sat Dec 16 05:44:24 UTC 2023 , Edited by admin on Sat Dec 16 05:44:24 UTC 2023
PRIMARY
PUBCHEM
3063272
Created by admin on Sat Dec 16 05:44:24 UTC 2023 , Edited by admin on Sat Dec 16 05:44:24 UTC 2023
PRIMARY
FDA UNII
BS4I581DAQ
Created by admin on Sat Dec 16 05:44:24 UTC 2023 , Edited by admin on Sat Dec 16 05:44:24 UTC 2023
PRIMARY
CAS
100337-30-2
Created by admin on Sat Dec 16 05:44:24 UTC 2023 , Edited by admin on Sat Dec 16 05:44:24 UTC 2023
PRIMARY