((4-(2-METHYL-2-BUTYL)-2-CHLOROPHENOXY)ETHOXYETHYL)(4-CHLOROBENZYL)DIMETHYLAMMONIUM CHLORIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C24H34Cl2NO2.Cl
Molecular Weight	474.891
Optical Activity	NONE
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ((4-(2-METHYL-2-BUTYL)-2-CHLOROPHENOXY)ETHOXYETHYL)(4-CHLOROBENZYL)DIMETHYLAMMONIUM CHLORIDE

Structure Search

SMILES

[Cl-].CCC(C)(C)C1=CC=C(OCCOCC[N+](C)(C)CC2=CC=C(Cl)C=C2)C(Cl)=C1

InChI

InChIKey=ZJOAVTJFSFMZIV-UHFFFAOYSA-M

InChI=1S/C24H34Cl2NO2.ClH/c1-6-24(2,3)20-9-12-23(22(26)17-20)29-16-15-28-14-13-27(4,5)18-19-7-10-21(25)11-8-19;/h7-12,17H,6,13-16,18H2,1-5H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula	C24H34Cl2NO2
Molecular Weight	439.438
Charge	1
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
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 21:35:20 GMT 2025` Edited by `admin` on `Mon Mar 31 21:35:20 GMT 2025`
Record UNII	38NIK6RGMZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AMMONIUM, (P-CHLOROBENZYL)(2-(2-(2-CHLORO-4-(1,1-DIMETHYLPROPYL)PHENOXY)ETHOXY)ETHYL)DIMETHYL-, CHLORIDE

Preferred Name

English

((4-(2-METHYL-2-BUTYL)-2-CHLOROPHENOXY)ETHOXYETHYL)(4-CHLOROBENZYL)DIMETHYLAMMONIUM CHLORIDE

Systematic Name

English

BENZENEMETHANAMINIUM, 4-CHLORO-N-(2-(2-(2-CHLORO-4-(1,1-DIMETHYLPROPYL)PHENOXY)ETHOXY)ETHYL)-N,N-DIMETHYL-, CHLORIDE (1:1)

Systematic Name

English

Code System Code Type Description

PUBCHEM

48307

Created by admin on Mon Mar 31 21:35:20 GMT 2025 , Edited by admin on Mon Mar 31 21:35:20 GMT 2025

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FDA UNII

38NIK6RGMZ

Created by admin on Mon Mar 31 21:35:20 GMT 2025 , Edited by admin on Mon Mar 31 21:35:20 GMT 2025

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CAS

66902-78-1

Created by admin on Mon Mar 31 21:35:20 GMT 2025 , Edited by admin on Mon Mar 31 21:35:20 GMT 2025

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EPA CompTox

DTXSID30985553

Created by admin on Mon Mar 31 21:35:20 GMT 2025 , Edited by admin on Mon Mar 31 21:35:20 GMT 2025

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