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

Details

Stereochemistry UNKNOWN
Molecular Formula C7H16NO2.I
Molecular Weight 273.1119
Optical Activity ( + )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of OXAPROPANIUM IODIDE, (+)-

SMILES

[I-].C[N+](C)(C)CC1COCO1

InChI

InChIKey=HQWAEQCLIWVOMF-UHFFFAOYSA-M
InChI=1S/C7H16NO2.HI/c1-8(2,3)4-7-5-9-6-10-7;/h7H,4-6H2,1-3H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula HI
Molecular Weight 127.9124
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C7H16NO2
Molecular Weight 146.2074
Charge 1
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:15:42 GMT 2023
Edited
by admin
on Sat Dec 16 10:15:42 GMT 2023
Record UNII
5369EVS45X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
OXAPROPANIUM IODIDE, (+)-
Systematic Name English
1,3-DIOXOLANE-4-METHANAMINIUM, N,N,N-TRIMETHYL-, IODIDE, (+)-
Systematic Name English
AMMONIUM, (1,3-DIOXOLAN-4-YLMETHYL)TRIMETHYL-, IODIDE, (+)-
Systematic Name English
Code System Code Type Description
FDA UNII
5369EVS45X
Created by admin on Sat Dec 16 10:15:43 GMT 2023 , Edited by admin on Sat Dec 16 10:15:43 GMT 2023
PRIMARY
CAS
21795-56-2
Created by admin on Sat Dec 16 10:15:43 GMT 2023 , Edited by admin on Sat Dec 16 10:15:43 GMT 2023
PRIMARY
PUBCHEM
10939
Created by admin on Sat Dec 16 10:15:43 GMT 2023 , Edited by admin on Sat Dec 16 10:15:43 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER
ENANTIOMER -> ENANTIOMER