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Details

Stereochemistry ACHIRAL
Molecular Formula C29H59N2O2.Cl
Molecular Weight 503.244
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of HYDROXYETHYL ERUCAMIDOPROPYL DIMONIUM CHLORIDE

SMILES

[Cl-].CCCCCCCC\C=C/CCCCCCCCCCCC(=O)NCCC[N+](C)(C)CCO

InChI

InChIKey=NSHFMBILLDRYPF-AFEZEDKISA-N
InChI=1S/C29H58N2O2.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-29(33)30-25-23-26-31(2,3)27-28-32;/h11-12,32H,4-10,13-28H2,1-3H3;1H/b12-11-;

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 C29H58N2O2
Molecular Weight 466.783
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
3XAS6015O2
Record Status Validated (UNII)
Record Version