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Details

Stereochemistry ACHIRAL
Molecular Formula C36H68N.Cl
Molecular Weight 550.385
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIMYRISTYL METHYL BENZYL AMMONIUM CHLORIDE

SMILES

[Cl-].CCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCCC)CC1=CC=CC=C1

InChI

InChIKey=MOVYDMDPASTSTN-UHFFFAOYSA-M
InChI=1S/C36H68N.ClH/c1-4-6-8-10-12-14-16-18-20-22-24-29-33-37(3,35-36-31-27-26-28-32-36)34-30-25-23-21-19-17-15-13-11-9-7-5-2;/h26-28,31-32H,4-25,29-30,33-35H2,1-3H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula C36H68N
Molecular Weight 514.9318
Charge 1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity NONE

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
W0R3LRW84A
Record Status Validated (UNII)
Record Version