BENZYLDIMETHYL(2-(2-((4-(1,1,3,3-TETRAMETHYLBUTYL)-M-TOLYL)OXY)ETHOXY)ETHYL)AMMONIUM CHLORIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C28H44NO2.Cl
Molecular Weight	462.107
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BENZYLDIMETHYL(2-(2-((4-(1,1,3,3-TETRAMETHYLBUTYL)-M-TOLYL)OXY)ETHOXY)ETHYL)AMMONIUM CHLORIDE

Structure Search

SMILES

[Cl-].CC1=CC(OCCOCC[N+](C)(C)CC2=CC=CC=C2)=CC=C1C(C)(C)CC(C)(C)C

InChI

InChIKey=WYWSKWZUWZLELX-UHFFFAOYSA-M

InChI=1S/C28H44NO2.ClH/c1-23-20-25(14-15-26(23)28(5,6)22-27(2,3)4)31-19-18-30-17-16-29(7,8)21-24-12-10-9-11-13-24;/h9-15,20H,16-19,21-22H2,1-8H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula	C28H44NO2
Molecular Weight	426.6545
Charge	1
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
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 `Fri Dec 15 15:38:31 UTC 2023` Edited by `admin` on `Fri Dec 15 15:38:31 UTC 2023`
Record UNII	Q827QV2C17
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BENZYLDIMETHYL(2-(2-((4-(1,1,3,3-TETRAMETHYLBUTYL)-M-TOLYL)OXY)ETHOXY)ETHYL)AMMONIUM CHLORIDE

Systematic Name

English

BENZENEMETHANAMINIUM, N,N-DIMETHYL-N-(2-(2-(3-METHYL-4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY)ETHOXY)ETHYL)-, CHLORIDE

Systematic Name

English

AMMONIUM, BENZYLDIMETHYL(2-(2-((4-(1,1,3,3-TETRAMETHYLBUTYL)-M-TOLYL)OXY)ETHOXY)ETHYL)-, CHLORIDE

Systematic Name

English

BENZENEMETHANAMINIUM, N,N-DIMETHYL-N-(2-(2-(3-METHYL-4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY)ETHOXY)ETHYL)-, CHLORIDE (1:1)

Systematic Name

English

Classification Tree Code System Code

EPA PESTICIDE CODE

69100