4,5-DIHYDRO-1-(2-(HEXADECANOYLAMINO)ETHYL)-1-METHYL-2-PENTADECANYL-1H-IMIDAZOLIUM METHYL SULFATE

Details

Stereochemistry	RACEMIC
Molecular Formula	C37H74N3O.CH3O4S
Molecular Weight	688.1
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4,5-DIHYDRO-1-(2-(HEXADECANOYLAMINO)ETHYL)-1-METHYL-2-PENTADECANYL-1H-IMIDAZOLIUM METHYL SULFATE

Structure Search

SMILES

COS([O-])(=O)=O.CCCCCCCCCCCCCCCC(=O)NCC[N+]1(C)CCN=C1CCCCCCCCCCCCCCC

InChI

InChIKey=ZWDYOMHYDBEDHD-UHFFFAOYSA-N

InChI=1S/C37H73N3O.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-36-38-32-34-40(36,3)35-33-39-37(41)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h4-35H2,1-3H3;1H3,(H,2,3,4)

HIDE SMILES / InChI

Molecular Formula	C37H74N3O
Molecular Weight	577.003
Charge	1
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
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 23:08:12 GMT 2025` Edited by `admin` on `Mon Mar 31 23:08:12 GMT 2025`
Record UNII	4I33A8X06D
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4,5-DIHYDRO-1-METHYL-2-NORPALMITYL-1-(2-PALMITYL AMIDOETHYL)IMIDAZOLIUM COMPOUNDS, METHYL SULFATE

Preferred Name

English

4,5-DIHYDRO-1-(2-(HEXADECANOYLAMINO)ETHYL)-1-METHYL-2-PENTADECANYL-1H-IMIDAZOLIUM METHYL SULFATE

Systematic Name

English

1H-IMIDAZOLIUM, 4,5-DIHYDRO-1-METHYL-1-(2-((1-OXOHEXADECYL)AMINO)ETHYL)-2-PENTADECYL-, METHYL SULFATE (1:1)

Systematic Name

English

Code System Code Type Description

CAS

93882-15-6