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Details

Stereochemistry MIXED
Molecular Formula C22H40NO2.Cl
Molecular Weight 386.012
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0
Stereo Comments Assumed mixed

SHOW SMILES / InChI
Structure of N-METHYL-N-(2-HYDROXYETHYL)-N-(2-HYDROXYDODECYL)-N-BENZYL AMMONIUM CHLORIDE

SMILES

[Cl-].CCCCCCCCCCC(O)C[N+](C)(CCO)CC1=CC=CC=C1

InChI

InChIKey=VNHUKFSXXYAFRU-UHFFFAOYSA-M
InChI=1S/C22H40NO2.ClH/c1-3-4-5-6-7-8-9-13-16-22(25)20-23(2,17-18-24)19-21-14-11-10-12-15-21;/h10-12,14-15,22,24-25H,3-9,13,16-20H2,1-2H3;1H/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 C22H39NO2
Molecular Weight 349.5506
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:07:25 GMT 2023
Edited
by admin
on Sat Dec 16 14:07:25 GMT 2023
Record UNII
446J5HAO2J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-METHYL-N-(2-HYDROXYETHYL)-N-(2-HYDROXYDODECYL)-N-BENZYL AMMONIUM CHLORIDE
Systematic Name English
BENZENEMETHANAMINIUM, N-(2-HYDROXYDODECYL)-N-(2-HYDROXYETHYL)-N-METHYL-, CHLORIDE (1:1)
Common Name English
Code System Code Type Description
CAS
19845-41-1
Created by admin on Sat Dec 16 14:07:25 GMT 2023 , Edited by admin on Sat Dec 16 14:07:25 GMT 2023
PRIMARY
FDA UNII
446J5HAO2J
Created by admin on Sat Dec 16 14:07:25 GMT 2023 , Edited by admin on Sat Dec 16 14:07:25 GMT 2023
PRIMARY
PUBCHEM
32332
Created by admin on Sat Dec 16 14:07:25 GMT 2023 , Edited by admin on Sat Dec 16 14:07:25 GMT 2023
PRIMARY
Related Record Type Details
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