1,2-DI(HEPTADECYL)-3-METHYL-4,5-DIHYDROIMIDAZOL-3-IUM, METHYL SULFATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C38H77N2.CH3O4S
Molecular Weight	673.129
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1,2-DI(HEPTADECYL)-3-METHYL-4,5-DIHYDROIMIDAZOL-3-IUM, METHYL SULFATE

Structure Search

SMILES

COS([O-])(=O)=O.CCCCCCCCCCCCCCCCCN1CC[N+](C)=C1CCCCCCCCCCCCCCCCC

InChI

InChIKey=WOYHHGFPRAERNF-UHFFFAOYSA-M

InChI=1S/C38H77N2.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-38-39(3)36-37-40(38)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h4-37H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1

HIDE SMILES / InChI

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

Molecular Formula	C38H77N2
Molecular Weight	562.0314
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 22:03:24 GMT 2025` Edited by `admin` on `Mon Mar 31 22:03:24 GMT 2025`
Record UNII	J2UJ7Q5GVB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

IMIDAZOLIUM COMPOUNDS, 2-(C17 AND C17-UNSATURATED ALKYL)-1-(2-(C18 AND C18-UNSATURATED AMIDO)ETHYL)-4,5-DIHYDRO-1-METHYL, METHYL SULFATES

Preferred Name

English

1,2-DI(HEPTADECYL)-3-METHYL-4,5-DIHYDROIMIDAZOL-3-IUM, METHYL SULFATE

Systematic Name

English

1H-IMIDAZOLIUM, 2,3-DIHEPTADECYL-4,5-DIHYDRO-1-METHYL-, METHYL SULFATE (1:1)

Systematic Name

English

Code System Code Type Description

CAS

2682214-93-1

Created by admin on Mon Mar 31 22:03:24 GMT 2025 , Edited by admin on Mon Mar 31 22:03:24 GMT 2025

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FDA UNII

J2UJ7Q5GVB

Created by admin on Mon Mar 31 22:03:24 GMT 2025 , Edited by admin on Mon Mar 31 22:03:24 GMT 2025

PRIMARY

PUBCHEM

22833414

Created by admin on Mon Mar 31 22:03:24 GMT 2025 , Edited by admin on Mon Mar 31 22:03:24 GMT 2025

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CAS

72749-55-4

Created by admin on Mon Mar 31 22:03:24 GMT 2025 , Edited by admin on Mon Mar 31 22:03:24 GMT 2025

NO STRUCTURE GIVEN