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Details

Stereochemistry ACHIRAL
Molecular Formula C40H76N.Cl
Molecular Weight 606.491
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DICETYL METHYL BENZYL AMMONIUM CHLORIDE

SMILES

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

InChI

InChIKey=NBPIESHSZVPURH-UHFFFAOYSA-M
InChI=1S/C40H76N.ClH/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-33-37-41(3,39-40-35-31-30-32-36-40)38-34-29-27-25-23-21-19-17-15-13-11-9-7-5-2;/h30-32,35-36H,4-29,33-34,37-39H2,1-3H3;1H/q+1;/p-1

HIDE SMILES / InChI

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

Molecular Formula C40H76N
Molecular Weight 571.0381
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

Approval Year

Substance Class Chemical
Record UNII
NG96F3W7BE
Record Status Validated (UNII)
Record Version