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Details

Stereochemistry ACHIRAL
Molecular Formula C10H15O2.C5H14NO
Molecular Weight 271.3957
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CHOLINE GERANATE, (E)-

SMILES

C[N+](C)(C)CCO.CC(C)=CCC\C(C)=C\C([O-])=O

InChI

InChIKey=BMLRIQTYMILHPE-BXTVWIJMSA-M
InChI=1S/C10H16O2.C5H14NO/c1-8(2)5-4-6-9(3)7-10(11)12;1-6(2,3)4-5-7/h5,7H,4,6H2,1-3H3,(H,11,12);7H,4-5H2,1-3H3/q;+1/p-1/b9-7+;

HIDE SMILES / InChI

Molecular Formula C10H15O2
Molecular Weight 167.2249
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Molecular Formula C5H14NO
Molecular Weight 104.1708
Charge 1
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 Sat Dec 16 18:49:57 GMT 2023
Edited
by admin
on Sat Dec 16 18:49:57 GMT 2023
Record UNII
7G6G5N7AZH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CHOLINE GERANATE, (E)-
Common Name English
ETHANAMINIUM, 2-HYDROXY-N,N,N-TRIMETHYL-, 3,7-DIMETHYL-(2E),6-OCTADIENOATE (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
155884411
Created by admin on Sat Dec 16 18:49:57 GMT 2023 , Edited by admin on Sat Dec 16 18:49:57 GMT 2023
PRIMARY
CAS
2396582-21-9
Created by admin on Sat Dec 16 18:49:57 GMT 2023 , Edited by admin on Sat Dec 16 18:49:57 GMT 2023
PRIMARY
CAS
1627515-59-6
Created by admin on Sat Dec 16 18:49:57 GMT 2023 , Edited by admin on Sat Dec 16 18:49:57 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
FDA UNII
7G6G5N7AZH
Created by admin on Sat Dec 16 18:49:57 GMT 2023 , Edited by admin on Sat Dec 16 18:49:57 GMT 2023
PRIMARY