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

Details

Stereochemistry	RACEMIC
Molecular Formula	C42H84N3O.C2H5O4S
Molecular Weight	772.26
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

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

Structure Search

SMILES

CCOS([O-])(=O)=O.CCCCCCCCCCCCCCCCCC(=O)NCC[N+]1(CC)CCN=C1CCCCCCCCCCCCCCCCC

InChI

InChIKey=LHUZAIHIPDNMTB-UHFFFAOYSA-N

InChI=1S/C42H83N3O.C2H6O4S/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41-43-37-39-45(41,6-3)40-38-44-42(46)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2;1-2-6-7(3,4)5/h4-40H2,1-3H3;2H2,1H3,(H,3,4,5)

HIDE SMILES / InChI

Molecular Formula	C42H84N3O
Molecular Weight	647.1359
Charge	1
Count

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

Molecular Formula	C2H5O4S
Molecular Weight	125.124
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 22:03:21 GMT 2025` Edited by `admin` on `Mon Mar 31 22:03:21 GMT 2025`
Record UNII	FBV0ND411R
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Common Name

English

NOPCOSOFT CP 100

Preferred Name

English

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

Systematic Name

English

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

Systematic Name

English

SULFURIC ACID, MONOETHYL ESTER, ION(1-), 1-ETHYL-2-HEPTADECYL-4,5-DIHYDRO-1-(2-((1-OXOOCTADECYL)AMINO)ETHYL)-1H-IMIDAZOLIUM

Systematic Name

English

Code System Code Type Description

PUBCHEM

116668

Created by admin on Mon Mar 31 22:03:21 GMT 2025 , Edited by admin on Mon Mar 31 22:03:21 GMT 2025

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FDA UNII

FBV0ND411R

Created by admin on Mon Mar 31 22:03:21 GMT 2025 , Edited by admin on Mon Mar 31 22:03:21 GMT 2025

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EPA CompTox

DTXSID40983383

Created by admin on Mon Mar 31 22:03:21 GMT 2025 , Edited by admin on Mon Mar 31 22:03:21 GMT 2025

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CAS

64761-65-5

Created by admin on Mon Mar 31 22:03:21 GMT 2025 , Edited by admin on Mon Mar 31 22:03:21 GMT 2025

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