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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)-O-TOLYL)OXY)ETHOXY)ETHYL)AMMONIUM

SMILES

CC1=CC(=CC=C1OCCOCC[N+](C)(C)CC2=CC=CC=C2)C(C)(C)CC(C)(C)C

InChI

InChIKey=UQOOPIMXBSPVJI-UHFFFAOYSA-N
InChI=1S/C28H44NO2/c1-23-20-25(28(5,6)22-27(2,3)4)14-15-26(23)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 18:09:49 UTC 2023
Edited
by admin
on Fri Dec 15 18:09:49 UTC 2023
Record UNII
NJX1653L36
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZYLDIMETHYL(2-(2-((4-(1,1,3,3-TETRAMETHYLBUTYL)-O-TOLYL)OXY)ETHOXY)ETHYL)AMMONIUM
Common Name English
BENZENEMETHANAMINIUM, N,N-DIMETHYL-N-(2-(2-(2-METHYL-4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY)ETHOXY)ETHYL)-
Systematic Name English
AMMONIUM, BENZYLDIMETHYL(2-(2-((4-(1,1,3,3-TETRAMETHYLBUTYL)-O-TOLYL)OXY)ETHOXY)ETHYL)-
Common Name English
Code System Code Type Description
PUBCHEM
4135
Created by admin on Fri Dec 15 18:09:49 UTC 2023 , Edited by admin on Fri Dec 15 18:09:49 UTC 2023
PRIMARY
FDA UNII
NJX1653L36
Created by admin on Fri Dec 15 18:09:49 UTC 2023 , Edited by admin on Fri Dec 15 18:09:49 UTC 2023
PRIMARY
CAS
72013-76-4
Created by admin on Fri Dec 15 18:09:49 UTC 2023 , Edited by admin on Fri Dec 15 18:09:49 UTC 2023
PRIMARY
EPA CompTox
DTXSID20865274
Created by admin on Fri Dec 15 18:09:49 UTC 2023 , Edited by admin on Fri Dec 15 18:09:49 UTC 2023
PRIMARY