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

Details

Stereochemistry	ACHIRAL
Molecular Formula	C28H44NO2.Cl.H2O
Molecular Weight	480.123
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 MONOHYDRATE

Structure Search

SMILES

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

InChI

InChIKey=XSTVKUYSCKWKCJ-UHFFFAOYSA-M

InChI=1S/C28H44NO2.ClH.H2O/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;1H2/q+1;;/p-1

HIDE SMILES / InChI

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

Molecular Formula	HO
Molecular Weight	17.0073
Charge	-1
Count

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

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

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	890DE8DEBI
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 MONOHYDRATE

Systematic Name

English

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

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

FDA UNII

890DE8DEBI

Created by admin on Fri Dec 15 15:38:31 UTC 2023 , Edited by admin on Fri Dec 15 15:38:31 UTC 2023

PRIMARY

CAS

10139-80-7

Created by admin on Fri Dec 15 15:38:31 UTC 2023 , Edited by admin on Fri Dec 15 15:38:31 UTC 2023

PRIMARY

PUBCHEM

22760839

Created by admin on Fri Dec 15 15:38:31 UTC 2023 , Edited by admin on Fri Dec 15 15:38:31 UTC 2023

PRIMARY

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