2-HEPTADECYL-1-METHYL-1-(STEARYLAMINOETHYL)-2-IMIDAZOLINIUM METHOSULFATE

Details

Stereochemistry	RACEMIC
Molecular Formula	C41H82N3O.CH3O4S
Molecular Weight	744.206
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-HEPTADECYL-1-METHYL-1-(STEARYLAMINOETHYL)-2-IMIDAZOLINIUM METHOSULFATE

Structure Search

SMILES

COS([O-])(=O)=O.CCCCCCCCCCCCCCCCCC(=O)NCC[N+]1(C)CCN=C1CCCCCCCCCCCCCCCCC

InChI

InChIKey=IOIXBUJAKFHCBU-UHFFFAOYSA-N

InChI=1S/C41H81N3O.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/h4-39H2,1-3H3;1H3,(H,2,3,4)

HIDE SMILES / InChI

Molecular Formula	C41H82N3O
Molecular Weight	633.1093
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 22:20:17 GMT 2025` Edited by `admin` on `Mon Mar 31 22:20:17 GMT 2025`
Record UNII	3GUS7X7SY6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CULSOFT S 75

Preferred Name

English

2-HEPTADECYL-1-METHYL-1-(STEARYLAMINOETHYL)-2-IMIDAZOLINIUM METHOSULFATE

Common Name

English

1H-IMIDAZOLIUM, 2-HEPTADECYL-4,5-DIHYDRO-1-METHYL-1-(2-((1-OXOOCTADECYL)AMINO)ETHYL)-, METHYL SULFATE

Systematic Name

English

4,5-DIHYDRO-1-METHYL-2-NORSTEARYL-1-(2-STEARYL AMIDOETHYL)IMIDAZOLIUM COMPOUNDS, METHYL SULFATE

Common Name

English

1-(STEAROYLAMIDOETHYL)-1-METHYL-2-HEPTADECYLIMIDAZOLINE METHYL SULFATE

Systematic Name

English

2-HEPTADECYL-1-METHYL-1-(2-STEARAMIDOETHYL)IMIDAZOLINIUM METHYLSULFATE

Systematic Name

English

2-IMIDAZOLINIUM, 2-HEPTADECYL-1-METHYL-1-(2-STEARAMIDOETHYL)-, METHYL SULFATE

Systematic Name

English

1H-Imidazolium, 2-heptadecyl-4,5-dihydro-1-methyl-1-[2-[(1-oxooctadecyl)amino]ethyl]-, methyl sulfate (1:1)

Systematic Name

English

Classification Tree Code System Code

EPA PESTICIDE CODE

46619