2-(Heptadeca-8,11,14-trienyl)-4,5-dihydro-1-(2-hydroxyethyl)-1H-imidazolium acetate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H38N2O.C2H4O2
Molecular Weight	406.6019
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	3
Charge	0

SHOW SMILES / InChI

Structure of 2-(Heptadeca-8,11,14-trienyl)-4,5-dihydro-1-(2-hydroxyethyl)-1H-imidazolium acetate

Structure Search

SMILES

CC(O)=O.CC\C=C/C\C=C/C\C=C/CCCCCCCC1=NCCN1CCO

InChI

InChIKey=ADUCXTOEDQTCOD-IFNWOZJISA-N

InChI=1S/C22H38N2O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25;1-2(3)4/h3-4,6-7,9-10,25H,2,5,8,11-21H2,1H3;1H3,(H,3,4)/b4-3-,7-6-,10-9-;

HIDE SMILES / InChI

Molecular Formula	C2H4O2
Molecular Weight	60.052
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C22H38N2O
Molecular Weight	346.5499
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	3
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 21:25:28 GMT 2025` Edited by `admin` on `Wed Apr 02 21:25:28 GMT 2025`
Record UNII	26G68EWX5E
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1H-Imidazole-1-ethanol,2-(8,11,14-heptadecatrien-1-yl)-4,5-dihydro-,acetate (1:1)

Preferred Name

English

2-(Heptadeca-8,11,14-trienyl)-4,5-dihydro-1-(2-hydroxyethyl)-1H-imidazolium acetate

Systematic Name

English

1H-Imidazole-1-ethanol, 2-(8Z,11Z,14Z)-8,11,14-heptadecatrienyl-4,5-dihydro-, acetate

Systematic Name

English

Code System Code Type Description

PUBCHEM

171390278

Created by admin on Wed Apr 02 21:25:28 GMT 2025 , Edited by admin on Wed Apr 02 21:25:28 GMT 2025

PRIMARY

CAS

94023-48-0

Created by admin on Wed Apr 02 21:25:28 GMT 2025 , Edited by admin on Wed Apr 02 21:25:28 GMT 2025

NON-SPECIFIC STEREOCHEMISTRY

ECHA (EC/EINECS)

301-645-3

Created by admin on Wed Apr 02 21:25:28 GMT 2025 , Edited by admin on Wed Apr 02 21:25:28 GMT 2025

PRIMARY

FDA UNII

26G68EWX5E

Created by admin on Wed Apr 02 21:25:28 GMT 2025 , Edited by admin on Wed Apr 02 21:25:28 GMT 2025

PRIMARY

Related Record Type Details


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2-(Heptadeca-8,11,14-trienyl)-4,5-dihydro-1-(2-hydroxyethyl)-1H-imidazole

PARENT -> SALT/SOLVATE

Amount: