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Details

Stereochemistry ACHIRAL
Molecular Formula C25H46N.Cl
Molecular Weight 396.092
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIMETHYL ETHYLBENZYL MYRISTYL AMMONIUM CHLORIDE

SMILES

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

InChI

InChIKey=QPDOMSFIXQWROY-UHFFFAOYSA-M
InChI=1S/C25H46N.ClH/c1-5-7-8-9-10-11-12-13-14-15-16-17-22-26(3,4)23-25-20-18-24(6-2)19-21-25;/h18-21H,5-17,22-23H2,1-4H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula C25H46N
Molecular Weight 360.6394
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
B352L6576U
Record Status Validated (UNII)
Record Version