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Details

Stereochemistry ACHIRAL
Molecular Formula C28H44NO2
Molecular Weight 426.6545
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of BENZYLDIMETHYL(2-(2-((4-(1,1,3,3-TETRAMETHYLBUTYL)-M-TOLYL)OXY)ETHOXY)ETHYL)AMMONIUM

SMILES

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

InChI

InChIKey=ULBZAXDVMDGCJQ-UHFFFAOYSA-N
InChI=1S/C28H44NO2/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/q+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

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:38:20 UTC 2023
Edited
by admin
on Fri Dec 15 18:38:20 UTC 2023
Record UNII
512838GU34
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZYLDIMETHYL(2-(2-((4-(1,1,3,3-TETRAMETHYLBUTYL)-M-TOLYL)OXY)ETHOXY)ETHYL)AMMONIUM
Systematic Name English
BENZENEMETHANAMINIUM, N,N-DIMETHYL-N-(2-(2-(3-METHYL-4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY)ETHOXY)ETHYL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
14843
Created by admin on Fri Dec 15 18:38:20 UTC 2023 , Edited by admin on Fri Dec 15 18:38:20 UTC 2023
PRIMARY
CAS
58431-62-2
Created by admin on Fri Dec 15 18:38:20 UTC 2023 , Edited by admin on Fri Dec 15 18:38:20 UTC 2023
PRIMARY
FDA UNII
512838GU34
Created by admin on Fri Dec 15 18:38:20 UTC 2023 , Edited by admin on Fri Dec 15 18:38:20 UTC 2023
PRIMARY
EPA CompTox
DTXSID20110039
Created by admin on Fri Dec 15 18:38:20 UTC 2023 , Edited by admin on Fri Dec 15 18:38:20 UTC 2023
PRIMARY