4,5-DIHYDRO-2-((8Z)-HEPTADECENYL)-1-METHYL-1-(2-((9Z)-OCTADECENOYLAMINO)ETHYL)-1H-IMIDAZOLIUM METHYL SULFATE

Details

Stereochemistry	RACEMIC
Molecular Formula	C41H78N3O.CH3O4S
Molecular Weight	740.175
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of 4,5-DIHYDRO-2-((8Z)-HEPTADECENYL)-1-METHYL-1-(2-((9Z)-OCTADECENOYLAMINO)ETHYL)-1H-IMIDAZOLIUM METHYL SULFATE

Structure Search

SMILES

COS([O-])(=O)=O.CCCCCCCC\C=C/CCCCCCCC(=O)NCC[N+]1(C)CCN=C1CCCCCCC\C=C/CCCCCCCC

InChI

InChIKey=ASOLQNQTXIEOPJ-YIQDKWKASA-N

InChI=1S/C41H77N3O.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-40-42-36-38-44(40,3)39-37-43-41(45)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h18-21H,4-17,22-39H2,1-3H3;1H3,(H,2,3,4)/b20-18-,21-19-;

HIDE SMILES / InChI

Molecular Formula	C41H78N3O
Molecular Weight	629.0775
Charge	1
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	2
Optical Activity	( + / - )

Molecular Formula	CH3O4S
Molecular Weight	111.097
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 `Mon Mar 31 21:58:19 GMT 2025` Edited by `admin` on `Mon Mar 31 21:58:19 GMT 2025`
Record UNII	V011H4CFOX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MACKERNIUM DC 183

Preferred Name

English

4,5-DIHYDRO-2-((8Z)-HEPTADECENYL)-1-METHYL-1-(2-((9Z)-OCTADECENOYLAMINO)ETHYL)-1H-IMIDAZOLIUM METHYL SULFATE

Common Name

English

1H-IMIDAZOLIUM, 2-(8Z)-8-HEPTADECEN-1-YL-4,5-DIHYDRO-1-METHYL-1-(2-(((9Z)-1-OXO-9-OCTADECEN-1-YL)AMINO)ETHYL)-, METHYL SULFATE (1:1)

Systematic Name

English

4,5-DIHYDRO-1-METHYL-2-NOROLEYL-1-(2-OLEYL AMIDOETHYL)IMIDAZOLIUM COMPOUNDS, METHYL SULFATE

Common Name

English

2-(8-HEPTADECENYL)-4,5-DIHYDRO-1-METHYL-1-(2-((1-OXO-9-OCTADECENYL)AMINO)ETHYL)-1H-IMIDAZOLIUM METHYL SULFATE, (Z,Z)-

Systematic Name

English

1H-IMIDAZOLIUM, 2-(8-HEPTADECENYL)-4,5-DIHYDRO-1-METHYL-1-(2-((1-OXO-9-OCTADECENYL)AMINO)ETHYL)-, (Z,Z)-, METHYL SULFATE

Systematic Name

English

QUATERNIUM 72

Common Name

English

Code System Code Type Description

FDA UNII

V011H4CFOX