U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C20H30NO3.I
Molecular Weight 459.3616
Optical Activity ( + / - )
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0
Stereo Comments Assumed racemic

SHOW SMILES / InChI
Structure of 1-METHYL-4-PIPERIDYL CYCLOPENTYLPHENYL GLYCOLATE METHIODIDE

SMILES

[I-].C[N+]1(C)CCC(CC1)OC(=O)C(O)(C2CCCC2)C3=CC=CC=C3

InChI

InChIKey=CYQJMVVXNFXJQL-UHFFFAOYSA-M
InChI=1S/C20H30NO3.HI/c1-21(2)14-12-18(13-15-21)24-19(22)20(23,17-10-6-7-11-17)16-8-4-3-5-9-16;/h3-5,8-9,17-18,23H,6-7,10-15H2,1-2H3;1H/q+1;/p-1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
4-HYDROXY-1,1-DIMETHYLPIPERIDINIUM IODIDE, .ALPHA.-CYCLOPENTYLMANDELATE
Preferred Name English
1-METHYL-4-PIPERIDYL CYCLOPENTYLPHENYL GLYCOLATE METHIODIDE
Systematic Name English
PIPERIDINIUM, 4-((2-CYCLOPENTYL-2-HYDROXY-2-PHENYLACETYL)OXY)-1,1-DIMETHYL-, IODIDE (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
2Q5FDZ4IJT
Created by admin on Mon Mar 31 17:57:36 GMT 2025 , Edited by admin on Mon Mar 31 17:57:36 GMT 2025
PRIMARY
CAS
113569-69-0
Created by admin on Mon Mar 31 17:57:36 GMT 2025 , Edited by admin on Mon Mar 31 17:57:36 GMT 2025
PRIMARY
PUBCHEM
138756761
Created by admin on Mon Mar 31 17:57:36 GMT 2025 , Edited by admin on Mon Mar 31 17:57:36 GMT 2025
PRIMARY
NIH
NCATS
PRIVACY NOTICE
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966